non-3-en-1-ol

• ChemBase ID: 107719
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCCC/C=C/CCO
• Canonical SMILES: CCCCC/C=C/CCO
• InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3
• InChIKey: IFTBJDZSLBRRMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-3-en-1-ol
• IUPAC Traditional name: non-3-en-1-ol
• Synonyms: cis-3-NONEN-1-OL

Database IDs

• CAS Number: 10340-23-5
• PubChem SID: 162088333
• PubChem CID: 5352807

CALCULATED PROPERTIES

• Acid pKa: 16.79179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6662436
• LogD (pH = 7.4): 2.6662436
• Log P: 2.6662436
• Molar Refractivity: 46.2565 cm^3
• Polarizability: 17.702093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204731

MP Biomedicals Rare Chemical collection