(2S,14S,15S)-2,15-dimethyl-14-propyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ol

• ChemBase ID: 184434
• Molecular Formular: C22H38O
• Molecular Mass: 318.53652
• Monoisotopic Mass: 318.29226584
• SMILES: [C@@]12(C(C3C([C@@]4(C(CC3)CCCC4)C)CC2)CC[C@@]1(O)CCC)C
• Canonical SMILES: CCC[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CCCC2
• InChI: InChI=1S/C22H38O/c1-4-12-22(23)15-11-19-17-9-8-16-7-5-6-13-20(16,2)18(17)10-14-21(19,22)3/h16-19,23H,4-15H2,1-3H3/t16?,17?,18?,19?,20-,21-,22-/m0/s1
• InChIKey: XENJGIABFDWSKQ-NNPHVMRHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,14S,15S)-2,15-dimethyl-14-propyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol
• IUPAC Traditional name: (2S,14S,15S)-2,15-dimethyl-14-propyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol

Database IDs

• PubChem SID: 164240344
• PubChem CID: 16395974

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.8381424
• LogD (pH = 7.4): 5.838143
• Log P: 5.838143
• Molar Refractivity: 96.7249 cm^3
• Polarizability: 38.98253 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds