(1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane

C7H12O — CID 58516279

IUPAC(1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane
SMILESCCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3/t5?,6-,7+
InChIKeyJNGPJRJQFCQFDU-DGUCWDHESA-N
MW112.17 g/mol
LogP1.29
Rot. Bonds1

About (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane

(1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 58516279) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane
PubChem CID58516279
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane
SMILESCCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3/t5?,6-,7+
InChIKeyJNGPJRJQFCQFDU-DGUCWDHESA-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 (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane (CID 58516279) is (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane is CCC1[C@H]2COC[C@@H]12.
What is the InChIKey of (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is JNGPJRJQFCQFDU-DGUCWDHESA-N. The full InChI is InChI=1S/C7H12O/c1-2-5-6-3-8-4-7(5)6/h5-7H,2-4H2,1H3/t5?,6-,7+.
What are the key properties of (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane?
(1S,5R)-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 (1S,5R)-6-ethyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 58516279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).