2,4-pentanediol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 12262
Molecular Formula

C5H12O2

SMILES

CC(CC(C)O)O

InChI

InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3

synonyms
  • 2,4-PENTANEDIOL
  • Pentane-2,4-diol
  • Isoamylene alcohol
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Properties
Property Value
MW 104.15 g/mol
HBD 2
HBA 2
Rotatable Bond Count 2
Exact Mass 104.083729621 g/mol
Monoisotopic Mass 104.083729621 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 39.3
xlogp 0.1
Topological Polar Surface Area 40.5