(1S,10'R)-9'-oxaspiro[cyclopentane-1,8'-tricyclo[8.4.0.02,7]tetradecan]-2'-ene

• ChemBase ID: 185438
• Molecular Formular: C17H26O
• Molecular Mass: 246.38774
• Monoisotopic Mass: 246.19836545
• SMILES: C12=CCCCC1C1(O[C@H]3C2CCCC3)CCCC1
• Canonical SMILES: C1CC[C@@H]2C(C1)C1=CCCCC1C1(O2)CCCC1
• InChI: InChI=1S/C17H26O/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-17(15)11-5-6-12-17/h7,14-16H,1-6,8-12H2/t14?,15?,16-/m1/s1
• InChIKey: FAEPWJYGQVWDIC-UYSNPLJNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,10'R)-9'-oxaspiro[cyclopentane-1,8'-tricyclo[8.4.0.0^2,^7]tetradecan]-2'-ene
• IUPAC Traditional name: (1S,10'R)-9'-oxaspiro[cyclopentane-1,8'-tricyclo[8.4.0.0^2,^7]tetradecan]-2'-ene

Database IDs

• PubChem SID: 164241348
• PubChem CID: 16396289

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.210123
• LogD (pH = 7.4): 4.210123
• Log P: 4.210123
• Molar Refractivity: 74.9405 cm^3
• Polarizability: 29.592894 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers (3:2)
• Classification: Derivatives & analogs of Natural Compounds