decan-5-one

• ChemBase ID: 295618
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCCC(=O)CCCC
• Canonical SMILES: CCCCCC(=O)CCCC
• InChI: InChI=1S/C10H20O/c1-3-5-7-9-10(11)8-6-4-2/h3-9H2,1-2H3
• InChIKey: JDPQWHLMBJZURR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decan-5-one
• IUPAC Traditional name: decan-5-one
• Synonyms: n-Pentyl n-butyl ketone; 5-Decanone; 5-癸酮

Database IDs

• CAS Number: 820-29-1
• EC Number: 212-469-0
• MDL Number: MFCD00053805
• PubChem SID: 180681149
• PubChem CID: 13175

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7301948
• LogD (pH = 7.4): 3.7301948
• Log P: 3.7301948
• Molar Refractivity: 48.4536 cm^3
• Polarizability: 19.23295 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%