(R)-4-Propyldihydrofuran-2(3H)-one

C₇H₁₂O₂CAS 63095-51-2128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
logP: 1.35Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

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

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

63095-51-2

SMILES

CCC[C@@H]1CC(=O)OC1

InChIKey

NVTUTJMZAZZKAZ-ZCFIWIBFSA-N

InChI

InChI=1S/C7H12O2/c1-2-3-6-4-7(8)9-5-6/h6H,2-5H2,1H3/t6-/m1/s1

Weigh it out

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

Work with (R)-4-Propyldihydrofuran-2(3H)-one

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 3-hydroxyhexanoate2305-25-150 % similar Bis(2-ethylhexyl) adipate103-23-149 % similar Ethyl tetrahydropyran-4-ylacetate103260-44-248 % similar Ethyl 2-(piperidin-4-yl)acetate59184-90-648 % similar Dioctyl azelate103-24-247 % similar Dioctyl sebacate122-62-347 % similar Ethyl 2-(4-oxocyclohexyl)acetate58012-34-347 % similar Isobutyl isovalerate589-59-347 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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