2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane

C11H18O — CID 70490093

IUPAC2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane
SMILESC=C(OCC)C1CC2CCC1C2
InChIInChI=1S/C11H18O/c1-3-12-8(2)11-7-9-4-5-10(11)6-9/h9-11H,2-7H2,1H3
InChIKeyIMEXPOVCQADCDS-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane

2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane (PubChem CID 70490093) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane
PubChem CID70490093
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane
SMILESC=C(OCC)C1CC2CCC1C2
InChIInChI=1S/C11H18O/c1-3-12-8(2)11-7-9-4-5-10(11)6-9/h9-11H,2-7H2,1H3
InChIKeyIMEXPOVCQADCDS-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane (CID 70490093) is 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane is C=C(OCC)C1CC2CCC1C2.
What is the InChIKey of 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane?
The InChIKey is IMEXPOVCQADCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-12-8(2)11-7-9-4-5-10(11)6-9/h9-11H,2-7H2,1H3.
What are the key properties of 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane?
2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 70490093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).