(4-methylidenecyclohexyl)methanol

• ChemBase ID: 43811
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C1(=C)CCC(CC1)CO
• Canonical SMILES: OCC1CCC(=C)CC1
• InChI: InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h8-9H,1-6H2
• InChIKey: VEDQBZWFMDUFHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylidenecyclohexyl)methanol
• IUPAC Traditional name: (4-methylidenecyclohexyl)methanol
• Synonyms: (4-Methylenecyclohexyl)methanol

Database IDs

• CAS Number: 1004-24-6
• MDL Number: MFCD00045564
• PubChem SID: 162048574
• PubChem CID: 13860

CALCULATED PROPERTIES

• Acid pKa: 17.711708
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5350795
• LogD (pH = 7.4): 1.5350795
• Log P: 1.5350795
• Molar Refractivity: 38.3324 cm^3
• Polarizability: 15.119015 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%