chempirical

4-Methoxy-1-butanol

C5H12O2CAS 111-32-0104.15 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C5H12O2
Molar mass
104.15 g/mol
Exact mass
104.0837 Da
Density
0.9954 g/mL (at 18 °C)
Boiling point
124–125 °C (at 13 Torr)
logP
0.41Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
111-32-0
SMILES
COCCCCO
InChIKey
KOVAQMSVARJMPH-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Butanol, 4-methoxy-
  • Dowanol BMAT
  • 4-Methoxybutyl alcohol
  • NSC 245191

Work with 4-Methoxy-1-butanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxy-1-propanol1589-49-783 % similar 2-Methoxyethanol109-86-463 % similar Polyethylene glycol monomethyl ether114740-40-863 % similar Polyethylene glycol monomethyl ether9004-74-463 % similar 2-(2-Methoxyethoxy)ethanol111-77-352 % similar Triethylene glycol monomethyl ether112-35-652 % similar 3,6,9,12,15,18-Hexaoxanonadecan-1-ol23601-40-352 % similar 2,5,8,11,14-Pentaoxahexadecan-16-ol23778-52-152 % similar

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

Same formula

2-Isopropoxyethanol109-59-1 1,5-Pentanediol111-29-5 3-Ethoxy-1-propanol111-35-3 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3 3-Methyl-1,3-butanediol2568-33-4

Elsewhere

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