decahydronaphthalene-2,7-diol

• ChemBase ID: 798127
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: C1(CC2C(CC1)CCC(C2)O)O
• Canonical SMILES: OC1CCC2C(C1)CC(CC2)O
• InChI: InChI=1S/C10H18O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-12H,1-6H2
• InChIKey: ALMLVUGGLRJZPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydronaphthalene-2,7-diol
• IUPAC Traditional name: decahydronaphthalene-2,7-diol
• Synonyms: 2,7-decahydroNaphthalenediol

Database IDs

• CAS Number: 20917-99-1

CALCULATED PROPERTIES

• Acid pKa: 18.309425
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.89342445
• LogD (pH = 7.4): 0.8934246
• Log P: 0.8934246
• Molar Refractivity: 47.442 cm^3
• Polarizability: 18.930742 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%