2-methylcyclododecan-1-one

• ChemBase ID: 185157
• Molecular Formular: C13H24O
• Molecular Mass: 196.32906
• Monoisotopic Mass: 196.18271539
• SMILES: C1(=O)C(C)CCCCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCCCC1C
• InChI: InChI=1S/C13H24O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h12H,2-11H2,1H3
• InChIKey: JJUNXABENLJLAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclododecan-1-one
• IUPAC Traditional name: 2-methylcyclododecan-1-one

Database IDs

• PubChem SID: 164241067
• PubChem CID: 543426

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6985927
• LogD (pH = 7.4): 4.6985927
• Log P: 4.6985927
• Molar Refractivity: 60.4279 cm^3
• Polarizability: 24.032774 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds