chempirical

Ethyl 4-hydroxybutanoate

C6H12O3CAS 999-10-0132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
999-10-0
SMILES
CCOC(=O)CCCO
InChIKey
AYPJVXQBVHCUCJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3

Weigh it out

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

Work with Ethyl 4-hydroxybutanoate

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

Ethyl 6-hydroxyhexanoate5299-60-585 % similar Diethyl glutarate818-38-275 % similar Diethyl adipate141-28-672 % similar Diethyl sebacate110-40-769 % similar Diethyl pimelate2050-20-669 % similar Diethyl suberate2050-23-969 % similar Diethyl azelate624-17-969 % similar Ethyl pentanoate539-82-264 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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