1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene

C13H22O3 — CID 122473644

IUPAC1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCC12C=CC(CC1)C2
InChIInChI=1S/C13H22O3/c1-14-6-7-15-8-9-16-11-13-4-2-12(10-13)3-5-13/h2,4,12H,3,5-11H2,1H3
InChIKeyVIGNRGXZYBGNRT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.02
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene

1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 122473644) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID122473644
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCC12C=CC(CC1)C2
InChIInChI=1S/C13H22O3/c1-14-6-7-15-8-9-16-11-13-4-2-12(10-13)3-5-13/h2,4,12H,3,5-11H2,1H3
InChIKeyVIGNRGXZYBGNRT-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (CID 122473644) is 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is COCCOCCOCC12C=CC(CC1)C2.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is VIGNRGXZYBGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-14-6-7-15-8-9-16-11-13-4-2-12(10-13)3-5-13/h2,4,12H,3,5-11H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 226.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 122473644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).