chempirical

Butyl methyl ether

C5H12OCAS 628-28-488.15 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.8629 g/mL (at 20 °C)
Melting point
−115.5 °C
Boiling point
70.1 °C
logP
1.43Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
628-28-4
SMILES
CCCCOC
InChIKey
CXBDYQVECUFKRK-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Butane, 1-methoxy-
  • Ether, butyl methyl
  • 1-Methoxybutane
  • Methyl butyl ether
  • Methyl n-butyl ether
  • α-Methoxybutane
  • n-Butyl methyl ether

Work with Butyl methyl ether

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

Hexyl methyl ether4747-07-378 % similar Methoxypropane557-17-565 % similar Dibutyl ether142-96-156 % similar Dipropylene glycol dimethyl ether111109-77-453 % similar Glycol dibutyl ether112-48-153 % similar Diethylene glycol dibutyl ether112-73-253 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-153 % similar Dimethoxyethane110-71-450 % 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-Pentanol584-02-1 3-Methyl-2-butanol598-75-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook