chempirical

9-Oxabicyclo[6.1.0]non-4-ene

C8H12OCAS 637-90-1124.18 g/mol

Open in Covalent MOL file
O
AlkeneEpoxideEther

Properties

Molecular formula
C8H12O
Molar mass
124.18 g/mol
Exact mass
124.0888 Da
Boiling point
73–74 °C (at 12 Torr)
logP
1.88Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
637-90-1
SMILES
C1=CCCC2OC2CC1
InChIKey
YWFPXWMSGJXUFS-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2

Weigh it out

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Names and synonyms

6 names
  • 1,5-Cyclooctadiene monoepoxide
  • 5,6-Epoxy-1-cyclooctene
  • 1,2-Epoxy-5-cyclooctene
  • NSC 61254
  • 1,5-Cyclooctadiene monoxide
  • 5,6-Epoxycycloctene

Work with 9-Oxabicyclo[6.1.0]non-4-ene

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

Cyclopentene oxide285-67-647 % similar Cyclohexene oxide286-20-447 % similar Cyclooctene oxide286-62-444 % similar 13-Oxabicyclo[10.1.0]tridecane286-99-744 % similar 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-538 % similar 4-Methylcyclohexene591-47-935 % similar 1,5-Cyclooctadiene111-78-433 % similar 1,5-Cyclooctadiene1552-12-133 % similar

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

Same formula

3-Ethenyl-7-oxabicyclo[4.1.0]heptane106-86-5 4,4-Dimethyl-2-cyclohexen-1-one1073-13-8 Bicyclo(3.2.1)octan-3-one14252-05-2 6-Methylhepta-3,5-dien-2-one1604-28-0 2-Butylfuran4466-24-4 1-Ethynylcyclohexanol78-27-3 1-Acetylcyclohexene932-66-1 Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-5

Elsewhere

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