(1S,4aS,8aS)-1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol

• ChemBase ID: 304279
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: C1C[C@]([C@@H]2[C@@](C1)(CCC(=C(C)C)C2)C)(C)O
• Canonical SMILES: CC(=C1CC[C@]2([C@H](C1)[C@@](C)(O)CCC2)C)C
• InChI: InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13-,14-,15-/m0/s1
• InChIKey: STRABSCAWZINIF-KKUMJFAQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,4aS,8aS)-1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol
• IUPAC Traditional name: (1S,4aS,8aS)-1,4a-dimethyl-7-(propan-2-ylidene)-hexahydro-2H-naphthalen-1-ol
• Synonyms: enantio-7(11)-Eudesmen-4-ol

Database IDs

• CAS Number: 186374-63-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5080898
• LogD (pH = 7.4): 3.5080903
• Log P: 3.5080903
• Molar Refractivity: 69.0904 cm^3
• Polarizability: 27.301434 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Cryst.