4-(prop-2-en-1-yl)hepta-1,6-dien-4-ol

• ChemBase ID: 295634
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C=CCC(CC=C)(CC=C)O
• Canonical SMILES: C=CCC(CC=C)(CC=C)O
• InChI: InChI=1S/C10H16O/c1-4-7-10(11,8-5-2)9-6-3/h4-6,11H,1-3,7-9H2
• InChIKey: SUXQWOWVXDXQSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-en-1-yl)hepta-1,6-dien-4-ol
• IUPAC Traditional name: 4-(prop-2-en-1-yl)hepta-1,6-dien-4-ol
• Synonyms: Triallyl carbinol; 4-Allyl-1,6-heptadien-4-ol; 4-烯丙基-庚-4-醇

Database IDs

• CAS Number: 10202-75-2
• MDL Number: MFCD00039829
• PubChem SID: 180681165
• PubChem CID: 139107

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5246916
• LogD (pH = 7.4): 2.5246918
• Log P: 2.5246918
• Molar Refractivity: 49.5742 cm^3
• Polarizability: 19.08192 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• 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: 99%