2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C23H40O9 — CID 171770545

IUPAC2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C23H40O9/c1-25-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-23(24)22-19-20-2-3-21(22)18-20/h2-3,20-22H,4-19H2,1H3
InChIKeyLMNASNDEMIVVIK-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.49
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 171770545) has the molecular formula C23H40O9 and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID171770545
Molecular FormulaC23H40O9
Molecular Weight460.56 g/mol
Exact Mass460.27
IUPAC Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C23H40O9/c1-25-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-23(24)22-19-20-2-3-21(22)18-20/h2-3,20-22H,4-19H2,1H3
InChIKeyLMNASNDEMIVVIK-UHFFFAOYSA-N
XLogP1.49
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 171770545) is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is COCCOCCOCCOCCOCCOCCOCCOC(=O)C1CC2C=CC1C2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is LMNASNDEMIVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O9/c1-25-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-23(24)22-19-20-2-3-21(22)18-20/h2-3,20-22H,4-19H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 1.49, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 171770545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).