3,7,11-trimethyldodec-1-en-3-ol

• ChemBase ID: 182738
• Molecular Formular: C15H30O
• Molecular Mass: 226.3981
• Monoisotopic Mass: 226.22966558
• SMILES: C(=C)C(O)(CCCC(CCCC(C)C)C)C
• Canonical SMILES: C=CC(CCCC(CCCC(C)C)C)(O)C
• InChI: InChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3
• InChIKey: XLIJOVLDKFATNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7,11-trimethyldodec-1-en-3-ol
• IUPAC Traditional name: 3,7,11-trimethyldodec-1-en-3-ol

Database IDs

• PubChem SID: 164238648
• PubChem CID: 528824

CALCULATED PROPERTIES

• Acid pKa: 18.336882
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.118366
• LogD (pH = 7.4): 5.118366
• Log P: 5.118366
• Molar Refractivity: 72.3092 cm^3
• Polarizability: 28.781284 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds