(2R)-2-methylcyclotetradecan-1-one

• ChemBase ID: 128476
• Molecular Formular: C15H28O
• Molecular Mass: 224.38222
• Monoisotopic Mass: 224.21401552
• SMILES: O=C1[C@H](C)CCCCCCCCCCCC1
• Canonical SMILES: C[C@@H]1CCCCCCCCCCCCC1=O
• InChI: InChI=1S/C15H28O/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(14)16/h14H,2-13H2,1H3/t14-/m1/s1
• InChIKey: GHCVPKCRECQSRF-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-methylcyclotetradecan-1-one
• IUPAC Traditional name: (2R)-2-methylcyclotetradecan-1-one
• Synonyms: Muscone

Database IDs

• CAS Number: 541-91-3
• PubChem SID: 162222783
• PubChem CID: 57182551
• Wikipedia Title: Muscone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.58773
• LogD (pH = 7.4): 5.58773
• Log P: 5.58773
• Molar Refractivity: 69.6299 cm^3
• Polarizability: 27.724466 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -15°C
• Boiling Point: 328°C
• Density: 0.9221 g/cm^3