nonadecan-10-one

• ChemBase ID: 109840
• Molecular Formular: C19H38O
• Molecular Mass: 282.50442
• Monoisotopic Mass: 282.29226584
• SMILES: CCCCCCCCCC(=O)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCC(=O)CCCCCCCCC
• InChI: InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
• InChIKey: YUPOCHDBBHTUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecan-10-one
• IUPAC Traditional name: 10-nonadecanone
• Synonyms: DI-n-NONYL KETONE; nonadecan-10-one; Dinonyl ketone; 10-Nonadecanone; 二壬基酮; 10-十九烷酮

Database IDs

• CAS Number: 504-57-4
• MDL Number: MFCD00009584
• PubChem SID: 162095362
• PubChem CID: 10441

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.7313128
• LogD (pH = 7.4): 7.7313128
• Log P: 7.7313128
• Molar Refractivity: 89.8626 cm^3
• Polarizability: 35.849636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C19H38O

DETAILS

MP Biomedicals - 05212765

MP Biomedicals Rare Chemical collection