2-methylcyclopentan-1-ol

• ChemBase ID: 112648
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CC1CCCC1O
• Canonical SMILES: OC1CCCC1C
• InChI: InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3
• InChIKey: BVIJQMCYYASIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopentan-1-ol
• IUPAC Traditional name: cyclopentanol, 2-methyl-, cis-
• Synonyms: 2-METHYLCYCLOPENTANOL-1; 2-Methylcyclopentanol, cis + trans; 2-甲基环戊醇,顺式+反式

Database IDs

• CAS Number: 24070-77-7
• MDL Number: MFCD00066162
• PubChem SID: 162097470
• PubChem CID: 32205

CALCULATED PROPERTIES

• Acid pKa: 18.47008
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2010976
• LogD (pH = 7.4): 1.2010976
• Log P: 1.2010976
• Molar Refractivity: 29.1461 cm^3
• Polarizability: 11.669966 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4510

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: 97%

DETAILS

MP Biomedicals - 05225160

MP Biomedicals Rare Chemical collection