2-[(2R,4aS)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol

• ChemBase ID: 304260
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: C1CC(=C2[C@@](C1)(CC[C@H](C2)C(C)(C)O)C)C
• Canonical SMILES: CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(O)(C)C
• InChI: InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1
• InChIKey: WMOPMQRJLLIEJV-DOMZBBRYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,4aS)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol
• IUPAC Traditional name: 10-epi-gamma-eudesmol
• Synonyms: epi-Eudesmol

Database IDs

• CAS Number: 15051-81-7

CALCULATED PROPERTIES

• Acid pKa: 19.347033
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4301362
• LogD (pH = 7.4): 3.4301364
• Log P: 3.4301364
• Molar Refractivity: 69.1674 cm^3
• Polarizability: 27.301434 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil