butan-2-ylcyclohexane

• ChemBase ID: 109066
• Molecular Formular: C10H20
• Molecular Mass: 140.2658
• Monoisotopic Mass: 140.15650064
• SMILES: CCC(C)C1CCCCC1
• Canonical SMILES: CCC(C1CCCCC1)C
• InChI: InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
• InChIKey: QTYARKOMFKRPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-ylcyclohexane
• IUPAC Traditional name: S-butylcyclohexane
• Synonyms: sec-BUTYLCYCLOHEXANE

Database IDs

• CAS Number: 7058-01-7
• PubChem SID: 162095684
• PubChem CID: 23468

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1305876
• LogD (pH = 7.4): 4.1305876
• Log P: 4.1305876
• Molar Refractivity: 45.9052 cm^3
• Polarizability: 18.47042 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

DETAILS

MP Biomedicals - 05209694

MP Biomedicals Rare Chemical collection