chempirical

Isoamyl alcohol

C5H12OCAS 123-51-388.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.813 g/mL (at 15 °C)
Melting point
−117.2 °C
Boiling point
132.5 °C
logP
1.02Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
123-51-3
SMILES
CC(C)CCO
InChIKey
PHTQWCKDNZKARW-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 1-Butanol, 3-methyl-
  • Isopentyl alcohol
  • 3-Methyl-1-butanol
  • Isoamylol
  • Isopentanol
  • 2-Methyl-4-butanol
  • Isobutyl carbinol
  • iso-Amyl alcohol
  • iso-Pentanol
  • 3-Methylbutyl alcohol
  • NSC 1029
  • NSC 7905
  • 3-Methylbutane-1-ol

Work with Isoamyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isohexanol626-89-167 % similar 3,7-Dimethyl-1-octanol106-21-859 % similar 3-Methyl-1,5-pentanediol4457-71-056 % similar 2,5-Dimethylhexane592-13-253 % similar 2-Cyclopropylethanol2566-44-153 % similar 1,3-Butanediol107-88-050 % similar (+)-1,3-Butanediol24621-61-250 % similar (-)-1,3-Butanediol6290-03-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1 3-Methyl-2-butanol598-75-4 2-Pentanol6032-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia