1,2:5,6-Diepoxyhexane

C₆H₁₀O₂CAS 1888-89-7114.14 g/mol

Open in Covalent MOL file

Epoxide Ether

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Boiling point: 86–88 °C (at 15 Torr)
logP: 0.56Crippen estimate
Polar surface area: 25.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

1888-89-7

SMILES

C(CC1CO1)C1CO1

InChIKey

HTJFSXYVAKSPNF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

7 names

Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-
Hexane, 1,2:5,6-diepoxy-
1,2:5,6-Dianhydro-3,4-dideoxyhexitol
1,5-Hexadiene diepoxide
NSC 47548
1,2-Di(oxiran-2-yl)ethane
2-[2-(Oxiran-2-yl)ethyl]oxirane

Work with 1,2:5,6-Diepoxyhexane

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

1,2:7,8-Diepoxyoctane2426-07-571 % similar 2-(2-Bromoethyl)oxirane13287-42-859 % similar 2-Butyloxirane1436-34-656 % similar Triglycidylglycerol13236-02-753 % similar Diglycidyl ether2238-07-553 % similar 2-(3-Buten-1-yl)oxirane10353-53-450 % similar (2R)-2-(3-Buten-1-yl)oxirane137688-20-150 % similar (2S)-2-(3-Buten-1-yl)oxirane137688-21-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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