5-ethyl-2-oxabicyclo[2.2.0]hexane

C7H12O — CID 168887552

IUPAC5-ethyl-2-oxabicyclo[2.2.0]hexane
SMILESCCC1CC2OCC12
InChIInChI=1S/C7H12O/c1-2-5-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3
InChIKeyOBNBEYJYMVMYLR-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds1

About 5-ethyl-2-oxabicyclo[2.2.0]hexane

5-ethyl-2-oxabicyclo[2.2.0]hexane (PubChem CID 168887552) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 5-ethyl-2-oxabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name5-ethyl-2-oxabicyclo[2.2.0]hexane
PubChem CID168887552
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name5-ethyl-2-oxabicyclo[2.2.0]hexane
SMILESCCC1CC2OCC12
InChIInChI=1S/C7H12O/c1-2-5-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3
InChIKeyOBNBEYJYMVMYLR-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxabicyclo[2.2.0]hexane?
The IUPAC name of 5-ethyl-2-oxabicyclo[2.2.0]hexane (CID 168887552) is 5-ethyl-2-oxabicyclo[2.2.0]hexane.
What is the SMILES notation for 5-ethyl-2-oxabicyclo[2.2.0]hexane?
The canonical SMILES for 5-ethyl-2-oxabicyclo[2.2.0]hexane is CCC1CC2OCC12.
What is the InChIKey of 5-ethyl-2-oxabicyclo[2.2.0]hexane?
The InChIKey is OBNBEYJYMVMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-5-3-7-6(5)4-8-7/h5-7H,2-4H2,1H3.
What are the key properties of 5-ethyl-2-oxabicyclo[2.2.0]hexane?
5-ethyl-2-oxabicyclo[2.2.0]hexane has a molecular weight of 112.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxabicyclo[2.2.0]hexane is sourced from PubChem (CID 168887552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).