(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

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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

Delta-Hexalactone823-22-375 % similar Beta-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

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