6-ethyl-3-oxabicyclo[3.1.0]hexane

C7H12O — CID 76809331

IUPAC6-ethyl-3-oxabicyclo[3.1.0]hexane
SMILESCCC1C2COCC12
InChIInChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3
InChIKeyJNGPJRJQFCQFDU-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.29
Rot. Bonds1

About 6-ethyl-3-oxabicyclo[3.1.0]hexane

6-ethyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 76809331) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 6-ethyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-ethyl-3-oxabicyclo[3.1.0]hexane
PubChem CID76809331
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name6-ethyl-3-oxabicyclo[3.1.0]hexane
SMILESCCC1C2COCC12
InChIInChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3
InChIKeyJNGPJRJQFCQFDU-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of 6-ethyl-3-oxabicyclo[3.1.0]hexane (CID 76809331) is 6-ethyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-ethyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 6-ethyl-3-oxabicyclo[3.1.0]hexane is CCC1C2COCC12.
What is the InChIKey of 6-ethyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is JNGPJRJQFCQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3.
What are the key properties of 6-ethyl-3-oxabicyclo[3.1.0]hexane?
6-ethyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 112.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 76809331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).