chempirical

(R)-Gamma-valerolactone

C5H8O2CAS 58917-25-2100.12 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
logP
0.71Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

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
58917-25-2
SMILES
C[C@@H]1CCC(=O)O1
InChIKey
GAEKPEKOJKCEMS-SCSAIBSYSA-N
InChI
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m1/s1

Weigh it out

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

Work with (R)-Gamma-valerolactone

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

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.

Gamma-valerolactone108-29-2Stereo not defined

Similar compounds

(±)-δ-Hexalactone823-22-375 % similar β-Butyrolactone3068-88-058 % similar Diisopropyl succinate924-88-952 % similar (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-650 % similar γ-Hexalactone695-06-750 % similar γ-Heptalactone105-21-548 % similar Diisopropyl adipate6938-94-948 % similar Diisopropyl sebacate7491-02-346 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook