2-Methylpentane | SBID = 388 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 0.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 85.2
Sum Formula: C6H14
M / g/mol: 86.178
Complexity: 21.0
Number of Conformers: 2.0

Identifiers

  • Tags: aliphatic, hydrocarbon, typical guest
  • Name: 2-Methylpentane
  • Preferred Abbreviation: Isohexane
  • IUPAC Name: 2-methylpentane
  • CAS: 107-83-5
  • CID: 7892
  • InChiKey: AFABGHUZZDYHJO-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
  • CanoSmiles: CCCC(C)C
  • IsoSmiles: CCCC(C)C