4-methylnonan-5-one

• ChemBase ID: 112671
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCC(=O)C(C)CCC
• Canonical SMILES: CCCCC(=O)C(CCC)C
• InChI: InChI=1S/C10H20O/c1-4-6-8-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3
• InChIKey: CGHJMKONNFWXHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylnonan-5-one
• IUPAC Traditional name: 4-methylnonan-5-one
• Synonyms: 4-METHYL-5-NONANONE; 4-Methyl-5-nonanone; 4-甲基-5-壬酮

Database IDs

• CAS Number: 35900-26-6
• MDL Number: MFCD00048807
• PubChem SID: 162098241
• PubChem CID: 520768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8286123
• LogD (pH = 7.4): 3.8286123
• Log P: 3.8286123
• Molar Refractivity: 48.4271 cm^3
• Polarizability: 19.23295 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 189-190°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99+%

DETAILS

MP Biomedicals - 05225255

MP Biomedicals Rare Chemical collection