3,7-dimethyloct-6-en-3-ol

• ChemBase ID: 291859
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCC(C)(O)CCC=C(C)C
• Canonical SMILES: CCC(CCC=C(C)C)(O)C
• InChI: InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3
• InChIKey: JRTBBCBDKSRRCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-dimethyloct-6-en-3-ol
• IUPAC Traditional name: 3,7-dimethyloct-6-en-3-ol
• Synonyms: 3,7-Dimethyloct-6-en-3-ol

Database IDs

• CAS Number: 2270-57-7
• MDL Number: MFCD00059140
• PubChem SID: 180677390
• PubChem CID: 86749

CALCULATED PROPERTIES

• Acid pKa: 19.212069
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7955728
• LogD (pH = 7.4): 2.795573
• Log P: 2.795573
• Molar Refractivity: 50.3165 cm^3
• Polarizability: 19.548393 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%