chempirical

7-Oxabicyclo[2.2.1]heptane

C6H10OCAS 279-49-298.14 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.9707 g/mL (at 20 °C)
Boiling point
120.1 °C
logP
1.33Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
279-49-2
SMILES
C1CC2CCC1O2
InChIKey
YPWFNLSXQIGJCK-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

8 names
  • 3,6-Endoxocyclohexane
  • Cyclohexane, 1,4-epoxy-
  • Cyclohexane, 3,6-endoxo-
  • 1,4-Epoxycyclohexane
  • 3,6-Endooxycyclohexane
  • 7-Oxanorbornane
  • 1,4-Oxycyclohexane
  • NSC 54357

Work with 7-Oxabicyclo[2.2.1]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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-353 % similar cis-2,5-Bis(hydroxymethyl)tetrahydrofuran2144-40-353 % similar 1,2:5,6-Diepoxyhexane1888-89-743 % similar Cyclopentene oxide285-67-633 % similar Cyclooctene oxide286-62-431 % similar 13-Oxabicyclo[10.1.0]tridecane286-99-731 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook