chempirical

1,2:5,6-Diepoxyhexane

C6H10O2CAS 1888-89-7114.14 g/mol

Open in Covalent MOL file
OO
EpoxideEther

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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 Glycerol triglycidyl ether13236-02-753 % 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 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook