cyclopentylcyclohexane

• ChemBase ID: 112859
• Molecular Formular: C11H20
• Molecular Mass: 152.2765
• Monoisotopic Mass: 152.15650064
• SMILES: C1CCC(CC1)C1CCCC1
• Canonical SMILES: C1CCC(CC1)C1CCCC1
• InChI: InChI=1S/C11H20/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10-11H,1-9H2
• InChIKey: WVABZRMBCQFXBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylcyclohexane
• IUPAC Traditional name: cyclopentylcyclohexane
• Synonyms: CYCLOPENTYL CYCLOHEXANE

Database IDs

• CAS Number: 1606-08-2
• PubChem SID: 162097653
• PubChem CID: 137104

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.11143
• LogD (pH = 7.4): 4.11143
• Log P: 4.11143
• Molar Refractivity: 48.704 cm^3
• Polarizability: 19.57322 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05226242

MP Biomedicals Rare Chemical collection