Ethyl 2-[(2S)-oxiran-2-yl]acetate

C₆H₁₀O₃CAS 112083-63-3130.14 g/mol

Open in Covalent MOL file

Epoxide Ester Ether

Properties

Molecular formula: C₆H₁₀O₃
Molar mass: 130.14 g/mol
Exact mass: 130.0630 Da
logP: 0.34Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H312 Harmful in contact with skin88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.9% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

112083-63-3

SMILES

CCOC(=O)C[C@H]1CO1

InChIKey

WHUSTVAXKRFVPD-YFKPBYRVSA-N

InChI

InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

6 names

Ethyl (2S)-2-oxiraneacetate
2-Oxiraneacetic acid, ethyl ester, (2S)-
Oxiraneacetic acid, ethyl ester, (S)-
Oxiraneacetic acid, ethyl ester, (2S)-
Ethyl (S)-3,4-epoxybutanoate
(S)-Ethyl 2-(oxiran-2-yl)acetate

Work with Ethyl 2-[(2S)-oxiran-2-yl]acetate

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 3,3-diethoxypropionate10601-80-662 % similar Ethyl isovalerate108-64-559 % similar Diethyl 3-hydroxyglutarate32328-03-357 % similar Triethyl 1,1,2-ethanetricarboxylate7459-46-355 % similar Ethyl (3R)-3-hydroxybutanoate24915-95-553 % similar Ethyl 3-hydroxybutyrate35608-64-153 % similar Ethyl 3-hydroxybutyrate5405-41-453 % similar (+)-Ethyl 3-hydroxybutyrate56816-01-453 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 (R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook