5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene

C11H18O — CID 22336658

IUPAC5-ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1C2CC(C1OCC)C=C2
InChIInChI=1S/C11H18O/c1-3-10-8-5-6-9(7-8)11(10)12-4-2/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWLKNUKMSLBDJEH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.50
Rot. Bonds3

About 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene

5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene (PubChem CID 22336658) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene
PubChem CID22336658
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene
SMILESCCC1C2CC(C1OCC)C=C2
InChIInChI=1S/C11H18O/c1-3-10-8-5-6-9(7-8)11(10)12-4-2/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyWLKNUKMSLBDJEH-UHFFFAOYSA-N
XLogP2.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene (CID 22336658) is 5-ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene is CCC1C2CC(C1OCC)C=C2.
What is the InChIKey of 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is WLKNUKMSLBDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-10-8-5-6-9(7-8)11(10)12-4-2/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene?
5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Ethoxy-6-ethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22336658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).