3-methyldecane

• ChemBase ID: 111825
• Molecular Formular: C11H24
• Molecular Mass: 156.30826
• Monoisotopic Mass: 156.18780077
• SMILES: CCCCCCCC(C)CC
• Canonical SMILES: CCCCCCCC(CC)C
• InChI: InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3
• InChIKey: JJRUZTXRDDMYGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyldecane
• IUPAC Traditional name: decane, 3-methyl-
• Synonyms: 3-METHYL DECANE

Database IDs

• CAS Number: 13151-34-3
• PubChem SID: 162096849
• PubChem CID: 92239

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1964316
• LogD (pH = 7.4): 5.1964316
• Log P: 5.1964316
• Molar Refractivity: 52.3608 cm^3
• Polarizability: 21.063684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05221193

MP Biomedicals Rare Chemical collection