Ethyl 4,4-dimethylcyclohex-1-ene-1-carboxylate
Structure Info
- Chemspace ID
- CSSB00107971514 (In-Stock Building Blocks)
- CAS
- 854719-98-5
- IUPAC Name
- ethyl 4,4-dimethylcyclohex-1-ene-1-carboxylate
- Mol formula
- C11H18O2
- Mol weight
- 182 Da
- Catalog Number(s)
- BBLS00107971514, BBV-201332769, CSC000300433, CSC107971514, CSCR00000300433, EN300-46837351, Z2287516218, bbls00107971514, m_1458_10892124_483918, m_1458____10892124____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.06
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.727
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00107971514
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 683.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 716.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 748.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 781.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 813.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,594.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,360.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,499.00 |
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Substructure Analogs
![Chemical structure of 5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-8,15-diene-7,13-dione - CSSB20958670698](/st/structure/200/ce994829fa80a46e0dc7e1c63baa1eb9/CC12CC%2528OC%2528%253DO%2529C1%253DCCC1%2528C%2529C2C2OC%2528%253DO%2529C1%2528O%2529C%253DC2%2529C1%253DCOC%253DC1.png)
![Chemical structure of (1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-8,15-diene-7,13-dione - CSSB00161149104](/st/structure/200/6c3cb3f0f7dba8f904643ae75b2c5b4d/C%255BC%2540%2540%255D12C%255BC%2540H%255D%2528OC%2528%253DO%2529C1%253DCC%255BC%2540%255D1%2528C%2529%255BC%2540H%255D2%255BC%2540%2540H%255D2OC%2528%253DO%2529%255BC%2540%2540%255D1%2528O%2529C%253DC2%2529C1%253DCOC%253DC1.png)
![Chemical structure of 5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione - CSSB21103248616](/st/structure/200/0bec9c871f9184f85fea7e37dc1805d8/CC12CC%2528OC%2528%253DO%2529C1%253DCCC1%2528C%2529C2C2OC%2528%253DO%2529C1%2528O%2529C1OC21%2529C1%253DCOC%253DC1.png)
![Chemical structure of (1S,2S,3S,5R,11R,12S,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione - CSSB20538472819](/st/structure/200/a31dbc41f43d7d99c9cbac54191e2e4c/C%255BC%2540%2540%255D12C%255BC%2540%2540H%255D%2528OC%2528%253DO%2529C1%253DCC%255BC%2540%255D1%2528C%2529%255BC%2540H%255D2%255BC%2540%2540H%255D2OC%2528%253DO%2529%255BC%2540%2540%255D1%2528O%2529%255BC%2540H%255D1O%255BC%2540%2540H%255D21%2529C1%253DCOC%253DC1.png)
![Chemical structure of methyl (2S,6S,6aR,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate - CSSB06256040633](/st/structure/200/faf631e408cd70765dd3cc1d1b5c8788/COC%2528%253DO%2529C1%253DCCC%255BC%2540H%255D2%255BC%2540%255D3%2528C%2529C%255BC%2540H%255D%2528OC%2528%253DO%2529C3%253DC%255BC%2540H%255D%2528O%255BC%2540%2540H%255D3O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D3O%2529%255BC%2540%2540%255D12C%2529c1ccoc1.png)
![Chemical structure of methyl 2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate - CSSB00137410368](/st/structure/200/205e825f565bd79ff14ee21337c71b18/COC%2528%253DO%2529C1%253DCCCC2C3%2528C%2529CC%2528OC%2528%253DO%2529C3%253DCC%2528OC3OC%2528CO%2529C%2528O%2529C%2528O%2529C3O%2529C12C%2529C1%253DCOC%253DC1.png)
![Chemical structure of methyl (2S,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate - CSSB00137410581](/st/structure/200/af33e14fecd97e619ee90a05c1f86536/COC%2528%253DO%2529C1%253DC%255BC%2540H%255D%2528O%2529C%255BC%2540H%255D2%255BC%2540%255D3%2528C%2529C%255BC%2540H%255D%2528OC%2528%253DO%2529C3%253DC%255BC%2540H%255D%2528O%255BC%2540%2540H%255D3O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D3O%2529%255BC%2540%2540%255D12C%2529C1%253DCOC%253DC1.png)
Similarity Analogs
![Chemical structure of ethyl 1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate - CSSB20895620368](/st/structure/200/b9f8251fd4b0d84bc1621b408dd049be/CCOC%2528%253DO%2529C1%253DCCC2%2528CC1%2529OCCO2.png)
