5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene

C11H18O2 — CID 59169045

IUPAC5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C11H18O2/c1-12-4-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11H,4-8H2,1H3
InChIKeyOLFLIWARCAJALD-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.86
Rot. Bonds5

About 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 59169045) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID59169045
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C11H18O2/c1-12-4-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11H,4-8H2,1H3
InChIKeyOLFLIWARCAJALD-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 59169045) is 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene is COCCOCC1CC2C=CC1C2.
What is the InChIKey of 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is OLFLIWARCAJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-12-4-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 182.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59169045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).