2-methyl-6-methylideneocta-2,7-dien-4-ol

• ChemBase ID: 103894
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: CC(=CC(O)CC(=C)C=C)C
• Canonical SMILES: C=CC(=C)CC(C=C(C)C)O
• InChI: InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3
• InChIKey: NHMKYUHMPXBMFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-methylideneocta-2,7-dien-4-ol
• IUPAC Traditional name: 2-methyl-6-methylideneocta-2,7-dien-4-ol
• Synonyms: 2-Methyl-6-Methylene-2,7-Octadien-4-ol; IPSDIENOL; 2-Methyl-6-Methyleneocta-2,7-dien-4-ol; 2-甲基-6-亚甲基-2,7-辛二烯-4-醇

Database IDs

• CAS Number: 35628-00-3; 14434-41-4
• PubChem SID: 162090885
• PubChem CID: 85734

CALCULATED PROPERTIES

• Acid pKa: 18.33107
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.306289
• LogD (pH = 7.4): 2.306289
• Log P: 2.306289
• Molar Refractivity: 49.8945 cm^3
• Polarizability: 19.08192 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49 °C @ 0.5 mm Hg
• Density: 0.90 g/ml

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02153212

Purity: 95%
Pheromone for Pine bark beetle