7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene

C11H18O — CID 58981589

IUPAC7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCCOC1C2C=CC1C(C)(C)C2
InChIInChI=1S/C11H18O/c1-4-12-10-8-5-6-9(10)11(2,3)7-8/h5-6,8-10H,4,7H2,1-3H3
InChIKeyJEOWJPADIQXIJB-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.62
Rot. Bonds2

About 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene

7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 58981589) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene
PubChem CID58981589
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCCOC1C2C=CC1C(C)(C)C2
InChIInChI=1S/C11H18O/c1-4-12-10-8-5-6-9(10)11(2,3)7-8/h5-6,8-10H,4,7H2,1-3H3
InChIKeyJEOWJPADIQXIJB-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.62
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 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene (CID 58981589) is 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene is CCOC1C2C=CC1C(C)(C)C2.
What is the InChIKey of 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is JEOWJPADIQXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-12-10-8-5-6-9(10)11(2,3)7-8/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene?
7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5,5-dimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58981589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).