1,5,9-trimethylcyclododecane

• ChemBase ID: 92977
• Molecular Formular: C15H30
• Molecular Mass: 210.3987
• Monoisotopic Mass: 210.23475096
• SMILES: CC1CCCC(CCCC(CCC1)C)C
• Canonical SMILES: CC1CCCC(C)CCCC(CCC1)C
• InChI: InChI=1S/C15H30/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h13-15H,4-12H2,1-3H3
• InChIKey: FGQAYKXUIXYFJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5,9-trimethylcyclododecane
• IUPAC Traditional name: 1,5,9-trimethylcyclododecane
• Synonyms: 1,5,9-Trimethyl-1,5,9-cyclododecane

Database IDs

• MDL Number: MFCD08445494
• PubChem SID: 162079675
• PubChem CID: 2737333

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1958814
• LogD (pH = 7.4): 6.1958814
• Log P: 6.1958814
• Molar Refractivity: 68.8578 cm^3
• Polarizability: 27.70563 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false