2-methyl-6-methylideneoct-7-en-4-ol

• ChemBase ID: 103895
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC(C)CC(O)CC(=C)C=C
• Canonical SMILES: C=CC(=C)CC(CC(C)C)O
• InChI: InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3
• InChIKey: RHAXCOKCIAVHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-methylideneoct-7-en-4-ol
• IUPAC Traditional name: 2-methyl-6-methylideneoct-7-en-4-ol
• Synonyms: IPSENOL

Database IDs

• CAS Number: 35628-05-8
• PubChem SID: 162092751
• PubChem CID: 85712

CALCULATED PROPERTIES

• Acid pKa: 19.116673
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.555961
• LogD (pH = 7.4): 2.5559611
• Log P: 2.5559611
• Molar Refractivity: 49.198498 cm^3
• Polarizability: 19.314552 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02153213

Purity: 95%
Pheromone for Pine bark beetle