[2-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl]methanol

• ChemBase ID: 182693
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: C12=C(CC(C(C1)(CO)CO)C)CCCC2(C)C
• Canonical SMILES: OCC1(CO)CC2=C(CC1C)CCCC2(C)C
• InChI: InChI=1S/C15H26O2/c1-11-7-12-5-4-6-14(2,3)13(12)8-15(11,9-16)10-17/h11,16-17H,4-10H2,1-3H3
• InChIKey: CHMPDCQZTABMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl]methanol
• IUPAC Traditional name: [2-(hydroxymethyl)-3,8,8-trimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl]methanol

Database IDs

• PubChem SID: 164238603
• PubChem CID: 3115153

CALCULATED PROPERTIES

• Acid pKa: 14.720342
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1172335
• LogD (pH = 7.4): 2.1172335
• Log P: 2.1172335
• Molar Refractivity: 70.8318 cm^3
• Polarizability: 27.89809 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds