chempirical

3-Pentanol

C5H12OCAS 584-02-188.15 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
0.8 g/mL
Melting point
−8 °C
Boiling point
116 °C
logP
1.17Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
584-02-1
SMILES
CCC(O)CC
InChIKey
AQIXEPGDORPWBJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-5(6)4-2/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

9 names
  • Diethyl carbinol
  • 3-Pentyl alcohol
  • 1-Ethyl-1-propanol
  • sec-Amyl alcohol
  • sec-Pentanol
  • sec-Pentyl alcohol
  • NSC 8654
  • 1-Ethylpropyl alcohol
  • 3-Hydroxypentane

Work with 3-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

Similar compounds

1,2-Butanediol26171-83-565 % similar (2R)-1,2-Butanediol40348-66-165 % similar 1,2-Butanediol584-03-265 % similar 1-Amino-2-butanol13552-21-161 % similar 3-Hexanol623-37-061 % similar 5-Methyl-3-heptanol18720-65-555 % similar 3-Heptanol589-82-255 % similar 4-Ethylcyclohexanol4534-74-153 % 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 2-Methyl-1-butanol34713-94-5 3-Methyl-2-butanol598-75-4 2-Pentanol6032-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia