oct-5-en-1-ol

• ChemBase ID: 107728
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CC/C=C/CCCCO
• Canonical SMILES: OCCCC/C=C/CC
• InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3
• InChIKey: VDHRTASWKDTLER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oct-5-en-1-ol
• IUPAC Traditional name: oct-5-en-1-ol
• Synonyms: cis-5-OCTEN-1-OL

Database IDs

• CAS Number: 64275-73-6
• PubChem SID: 162093764
• PubChem CID: 6008958

CALCULATED PROPERTIES

• Acid pKa: 16.918652
• 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

DETAILS

MP Biomedicals - 05204761

MP Biomedicals Rare Chemical collection