non-1-en-4-ol

• ChemBase ID: 295595
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCCCC(CC=C)O
• Canonical SMILES: CCCCCC(CC=C)O
• InChI: InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h4,9-10H,2-3,5-8H2,1H3
• InChIKey: NDUPBTSXOSZHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-1-en-4-ol
• IUPAC Traditional name: non-1-en-4-ol
• Synonyms: Allyl n-pentyl carbinol; 1-Nonen-4-ol; 1-壬烯-4-醇

Database IDs

• CAS Number: 35192-73-5
• MDL Number: MFCD00021949
• PubChem SID: 180681126
• PubChem CID: 141975

CALCULATED PROPERTIES

• Acid pKa: 18.44473
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7741373
• LogD (pH = 7.4): 2.7741373
• Log P: 2.7741373
• Molar Refractivity: 44.9248 cm^3
• Polarizability: 17.702093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%