2-(3-Buten-1-yl)oxirane
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.14 g/mol
- Exact mass
- 98.0732 Da
- Boiling point
- 119–121 °C
- logP
- 1.35Crippen estimate
- Polar surface area
- 12.5 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed98.1% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
10353-53-4SMILES
C=CCCC1CO1InChIKey
MUUOUUYKIVSIAR-UHFFFAOYSA-NInChI
InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Oxirane, 2-(3-buten-1-yl)-
- 1-Hexene, 5,6-epoxy-
- Oxirane, 3-butenyl-
- 5,6-Epoxy-1-hexene
- Diallyl monooxide
- Diallyl monoxide
- 2-(3-Butenyl)oxirane
- 1,2-Epoxy-5-hexene
- 3-Butenyloxirane
- ω-Butenyloxirane
Work with 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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
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.