4-(2,2-dimethylpropyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane | C18H22O3 | CC(C)(C)CC12COC(OC1)(OC2)C1=CC=C(C=C1)C#C | ACM108614308, CSC102588034, JH54438 | Chemspace

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Home CSCS00102588034

Structure Info

Chemspace ID: CSCS00102588034 (Synthesis)

IUPAC Name: 4-(2,2-dimethylpropyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane

Mol formula: C₁₈H₂₂O₃

Mol weight: 286 Da

Catalog Number(s): ACM108614308, CSC102588034, JH54438

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Properties
SDS

Properties

LogP: 4.11

Heavy atoms count: 21

Rotatable bond count: 3

Number of rings: 3

Carbon bond saturation, Fsp3: 0.555

Polar surface area (Å): 28

Hydrogen bond acceptors count: 3

Hydrogen bond donors count: 0

: Zoom the structure; CSCS00102588034

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Description: CAS: 108614-30-8

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