n-Butane | SBID = 313 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 0.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.9
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: 59.3
Sum Formula: C4H10
M / g/mol: 58.124
Complexity: 2.0
Number of Conformers: 3.0

Identifiers

  • Tags: aliphatic, alkane, hydrocarbon, typical guest
  • Name: n-Butane
  • Preferred Abbreviation: n-Butane
  • IUPAC Name: butane
  • CAS: 106-97-8
  • CID: 7843
  • InChiKey: IJDNQMDRQITEOD-UHFFFAOYSA-N
  • InChi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
  • CanoSmiles: CCCC
  • IsoSmiles: CCCC