1-cyclohexylpentan-1-ol

• ChemBase ID: 295586
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: CCCCC(C1CCCCC1)O
• Canonical SMILES: CCCCC(C1CCCCC1)O
• InChI: InChI=1S/C11H22O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
• InChIKey: PKXSPCMDZCKLCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpentan-1-ol
• IUPAC Traditional name: 1-cyclohexylpentan-1-ol
• Synonyms: n-Butyl cyclohexyl carbinol; 1-Cyclohexyl-1-pentanol; 1-环己基-1-戊醇

Database IDs

• CAS Number: 7338-43-4
• MDL Number: MFCD00045483
• PubChem SID: 180681117
• PubChem CID: 145270

CALCULATED PROPERTIES

• Acid pKa: 19.33387
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.423941
• LogD (pH = 7.4): 3.423941
• Log P: 3.423941
• Molar Refractivity: 52.1511 cm^3
• Polarizability: 20.891735 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%