1,2,3,4,5,6,7,8-octahydronaphthalene

• ChemBase ID: 80381
• Molecular Formular: C10H16
• Molecular Mass: 136.23404
• Monoisotopic Mass: 136.12520051
• SMILES: C1C2=C(CCC1)CCCC2
• Canonical SMILES: C1CCC2=C(C1)CCCC2
• InChI: InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H2
• InChIKey: ZKZCHOVDCNLSKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5,6,7,8-octahydronaphthalene
• IUPAC Traditional name: 1,2,3,4,5,6,7,8-octahydronaphthalene
• Synonyms: 1,2,3,4,5,6,7,8-Octahydronaphthalene

Database IDs

• MDL Number: MFCD00029169
• PubChem SID: 162067501
• PubChem CID: 79026

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2176242
• LogD (pH = 7.4): 3.2176242
• Log P: 3.2176242
• Molar Refractivity: 44.6864 cm^3
• Polarizability: 17.495043 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true