(1S,2S,10R,11S,12S)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol

• ChemBase ID: 183615
• Molecular Formular: C20H34O
• Molecular Mass: 290.48336
• Monoisotopic Mass: 290.26096571
• SMILES: [C@@]123[C@]([C@H]([C@@](C2)(CC3)C)O)(CCC2[C@@]1(CCCC2(C)C)C)C
• Canonical SMILES: O[C@H]1[C@]2(C)CC[C@]3([C@@]1(C)CCC1[C@]3(C)CCCC1(C)C)C2
• InChI: InChI=1S/C20H34O/c1-16(2)8-6-9-18(4)14(16)7-10-19(5)15(21)17(3)11-12-20(18,19)13-17/h14-15,21H,6-13H2,1-5H3/t14?,15-,17+,18-,19-,20-/m0/s1
• InChIKey: BLLVZMLLNFFOKV-JDVDCGAISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,10R,11S,12S)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.0^1,^1^0.0^2,^7]pentadecan-11-ol
• IUPAC Traditional name: (1S,2S,10R,11S,12S)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.0^1,^1^0.0^2,^7]pentadecan-11-ol

Database IDs

• PubChem SID: 164239525
• PubChem CID: 71753093

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7573867
• LogD (pH = 7.4): 4.7573867
• Log P: 4.7573867
• Molar Refractivity: 87.031 cm^3
• Polarizability: 35.291203 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds