1-(2,3,8,8-tetramethyl-decahydronaphthalen-2-yl)ethan-1-ol

• ChemBase ID: 184939
• Molecular Formular: C16H30O
• Molecular Mass: 238.4088
• Monoisotopic Mass: 238.22966558
• SMILES: C1(CC2C(CC1C)CCCC2(C)C)(C(O)C)C
• Canonical SMILES: CC(C1(C)CC2C(CC1C)CCCC2(C)C)O
• InChI: InChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3
• InChIKey: XDFUNZJKZIEFPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3,8,8-tetramethyl-decahydronaphthalen-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(2,3,8,8-tetramethyl-octahydronaphthalen-2-yl)ethanol

Database IDs

• PubChem SID: 164240849
• PubChem CID: 15801257

CALCULATED PROPERTIES

• Acid pKa: 19.334229
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.263817
• LogD (pH = 7.4): 4.263817
• Log P: 4.263817
• Molar Refractivity: 72.8925 cm^3
• Polarizability: 29.382921 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diasteremers
• Classification: Rare Derivatives of Natural Compounds