(2Z)-2-methyl-6-methylideneocta-2,7-dien-1-ol

• ChemBase ID: 128483
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C=CC(=C)CC/C=C(/C)\CO
• Canonical SMILES: OC/C(=C\CCC(=C)C=C)/C
• InChI: InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7-
• InChIKey: IEVYLQISZQFFGA-YFHOEESVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-methyl-6-methylideneocta-2,7-dien-1-ol
• IUPAC Traditional name: myrcenol
• Synonyms: Myrcenol

Database IDs

• CAS Number: 543-39-5
• PubChem SID: 162222790
• PubChem CID: 5352139; 10975
• Wikipedia Title: Myrcenol

CALCULATED PROPERTIES

• Acid pKa: 16.644018
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.256329
• LogD (pH = 7.4): 2.256329
• Log P: 2.256329
• Molar Refractivity: 50.1537 cm^3
• Polarizability: 19.08192 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.85 g/cm^3