(2S)-2-(3-Buten-1-yl)oxirane

C₆H₁₀OCAS 137688-21-298.14 g/mol

Open in Covalent MOL file

Alkene Epoxide Ether

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
logP: 1.35Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed100% of notifiers
H340 May cause genetic defects100% of notifiers
H350 May cause cancer100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P303+P361+P353, P318, P319, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

137688-21-2

SMILES

C=CCC[C@H]1CO1

InChIKey

MUUOUUYKIVSIAR-LURJTMIESA-N

InChI

InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Oxirane, 2-(3-buten-1-yl)-, (2S)-
Oxirane, 3-butenyl-, (2S)-
(-)-1,2-Epoxy-5-hexene
(-)-3-Butenyloxirane
(S)-2-(But-3-enyl)oxirane
S-3-Butenyloxirane
(S)-2-(But-3-en-1-yl)oxirane
(2S)-2-But-3-enyloxirane
(-)-(S)-2-(But-3-enyl)oxirane
(s)-1,2-Epoxy-5-hexene
(2S)-2-(But-3-en-1-yl)oxirane

Work with (2S)-2-(3-Buten-1-yl)oxirane

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.

(2R)-2-(3-Buten-1-yl)oxirane137688-20-1Enantiomer 2-(3-Buten-1-yl)oxirane10353-53-4Stereo not defined

Similar compounds

2-(5-Hexen-1-yl)oxirane19600-63-671 % similar 1,2-Epoxy-9-decene85721-25-168 % similar Allyl glycidyl ether106-92-350 % similar 1,2:5,6-Diepoxyhexane1888-89-750 % similar 1,2:7,8-Diepoxyoctane2426-07-545 % similar 5-Methyl-1-hexene3524-73-044 % similar 2-(2-Bromoethyl)oxirane13287-42-840 % similar 1,5-Hexadiene592-42-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

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