4-methyldecane

• ChemBase ID: 111808
• Molecular Formular: C11H24
• Molecular Mass: 156.30826
• Monoisotopic Mass: 156.18780077
• SMILES: CCCCCCC(C)CCC
• Canonical SMILES: CCCCCCC(CCC)C
• InChI: InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3
• InChIKey: DVWZNKLWPILULD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyldecane
• IUPAC Traditional name: decane, 4-methyl-
• Synonyms: 4-METHYL DECANE

Database IDs

• CAS Number: 2847-72-5
• PubChem SID: 162097103
• PubChem CID: 17835

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: 52.360798 cm^3
• Polarizability: 21.063684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221119

MP Biomedicals Rare Chemical collection