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

• ChemBase ID: 203598
• Molecular Formular: C20H32O
• Molecular Mass: 288.46748
• Monoisotopic Mass: 288.24531564
• SMILES: [C@@]123[C@](C(=O)[C@@](C2)(CC3)C)(CCC2[C@@]1(CCCC2(C)C)C)C
• Canonical SMILES: O=C1[C@]2(C)CC[C@]3([C@@]1(C)CCC1[C@]3(C)CCCC1(C)C)C2
• InChI: InChI=1S/C20H32O/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/h14H,6-13H2,1-5H3/t14?,17-,18+,19+,20+/m1/s1
• InChIKey: KQWRECMMRGLTCH-VZSHPWBOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259508
• PubChem CID: 71753179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6769414
• LogD (pH = 7.4): 5.6769414
• Log P: 5.6769414
• Molar Refractivity: 86.4145 cm^3
• Polarizability: 34.741234 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds