oct-3-en-1-ol

• ChemBase ID: 104450
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CCCC/C=C/CCO
• Canonical SMILES: CCCC/C=C/CCO
• InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3
• InChIKey: YDXQPTHHAPCTPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oct-3-en-1-ol
• IUPAC Traditional name: 3-octenol
• Synonyms: cis-3-OCTEN-1-OL

Database IDs

• CAS Number: 20125-84-2
• EC Number: 243-533-6
• PubChem SID: 162091540
• PubChem CID: 5364475

CALCULATED PROPERTIES

• Acid pKa: 16.79179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.221675
• LogD (pH = 7.4): 2.221675
• Log P: 2.221675
• Molar Refractivity: 41.6555 cm^3
• Polarizability: 15.855958 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: >95%

DETAILS

MP Biomedicals - 02155975

Purity: >95%