Structure Info
- Chemspace ID
- CSMB00020627104 (Enamine MADE)
- CAS
- 64277-87-8
- MFCD
- MFCD03844786
- IUPAC Name
- methyl 3,5-di-tert-butylbenzoate
- Mol formula
- C16H24O2
- Mol weight
- 248 Da
- Catalog Number(s)
- 64277-87-8, 8228AL, A019098484, A614167, AA003IMZ, AB64023, ACM64277878, ADB73642001, AE-562/43460408, AG-B15595, AG003IPR, AJ64023, AOS003IPR, AR003JER, AS-60965, ArZ-UP140966, ArZ-UP520642, BBV-750923280, BD82980, CD12048280, CS-0102769, CSC020627104, D2695, D748168, F606035, FM161180, HY-44090, JH410439, LN01110259, M301210, SAB-058272, T71169, X180941, ZX-RC058767, ZXC110089, s_1458_25959116_483916, s_1458____25959116____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.07
- Heavy atoms count
- 18
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.562
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00020627104
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