1-propylcyclopentan-1-ol

• ChemBase ID: 111714
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CCCC1(O)CCCC1
• Canonical SMILES: CCCC1(O)CCCC1
• InChI: InChI=1S/C8H16O/c1-2-5-8(9)6-3-4-7-8/h9H,2-7H2,1H3
• InChIKey: GJEILRJIINEWJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylcyclopentan-1-ol
• IUPAC Traditional name: 1-propylcyclopentan-1-ol
• Synonyms: 1-PROPYLCYCLOPENTANOL; 1-n-Propylcyclopentanol; 1-正-丙基环戊醇

Database IDs

• CAS Number: 1604-02-0
• MDL Number: MFCD00019282
• PubChem SID: 162096923
• PubChem CID: 98267

CALCULATED PROPERTIES

• Acid pKa: 19.517862
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0837924
• LogD (pH = 7.4): 2.0837924
• Log P: 2.0837924
• Molar Refractivity: 38.4377 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• 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%

DETAILS

MP Biomedicals - 05220518

MP Biomedicals Rare Chemical collection