(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol

• ChemBase ID: 204372
• Molecular Formular: C20H34O
• Molecular Mass: 290.48336
• Monoisotopic Mass: 290.26096571
• SMILES: [C@@]12([C@H](C(CCC2)(C)C)CC[C@]([C@@H]1CCC(=C)C=C)(O)C)C
• Canonical SMILES: C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C
• InChI: InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19-,20+/m0/s1
• InChIKey: JTWQQJDENGGSBJ-KVPLUYHFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol
• IUPAC Traditional name: (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1H-naphthalen-2-ol

Database IDs

• PubChem SID: 164260282
• PubChem CID: 11220007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2264657
• LogD (pH = 7.4): 5.2264657
• Log P: 5.2264657
• Molar Refractivity: 91.1553 cm^3
• Polarizability: 36.29899 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds