2,6-dimethyldecane

• ChemBase ID: 81115
• Molecular Formular: C12H26
• Molecular Mass: 170.33484
• Monoisotopic Mass: 170.20345083
• SMILES: CC(CCCC(CCCC)C)C
• Canonical SMILES: CCCCC(CCCC(C)C)C
• InChI: InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3
• InChIKey: DHJGXZWEQBKLNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyldecane
• IUPAC Traditional name: 2,6-dimethyldecane
• Synonyms: 2,6-Dimethyldecane

Database IDs

• CAS Number: 13150-81-7
• MDL Number: MFCD00060964
• PubChem SID: 162068234
• PubChem CID: 139395

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.483451
• LogD (pH = 7.4): 5.483451
• Log P: 5.483451
• Molar Refractivity: 56.9094 cm^3
• Polarizability: 22.910648 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful/Irritant