chempirical

7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)

C12H18O2CAS 37777-16-5194.27 g/mol

Open in Covalent MOL file
OO
EpoxideEther

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
logP
2.12Crippen estimate
Polar surface area
25.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
37777-16-5
SMILES
C1CC2C(O2)CC1C3CCC4C(C3)O4
InChIKey
CFXPUPHOOWUQRH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2

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Names and synonyms

1 names
  • 3,3'-Bi-7-oxabicyclo[4.1.0]heptane

Work with 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)

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

Vinyl cyclohexene dioxide106-87-667 % similar Cyclopentene oxide285-67-644 % similar Cyclohexene oxide286-20-444 % similar 3-Ethenyl-7-oxabicyclo[4.1.0]heptane106-86-544 % similar Housane185-94-444 % similar Cyclooctene oxide286-62-442 % similar 13-Oxabicyclo[10.1.0]tridecane286-99-742 % similar 9-Oxabicyclo[6.1.0]non-4-ene637-90-138 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4

Elsewhere

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