chempirical

1-Pentanol

C5H12OCAS 30899-19-588.15 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Boiling point
138 °C
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
30899-19-5
SMILES
CCCCCO
InChIKey
AMQJEAYHLZJPGS-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pentanol

Work with 1-Pentanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Pentanol71-41-0

Similar compounds

1-Hexanol111-27-393 % similar 1-Heptanol111-70-693 % similar 1-Octanol111-87-593 % similar 1-Decanol112-30-193 % similar Undecanol112-42-593 % similar Dodecanol112-53-893 % similar 1-Tridecanol112-70-993 % similar 1-Tetradecanol112-72-193 % similar

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

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 Methyl tert-butyl ether1634-04-4 (+)-2-Pentanol26184-62-3 (2R)-Pentan-2-ol31087-44-2 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook