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

C22H38O8 — CID 171770522

IUPAC2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C22H38O8/c1-22(18-19-3-4-20(22)17-19)21(23)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-24-2/h3-4,19-20H,5-18H2,1-2H3
InChIKeyWRCMRBBSNUEEAB-UHFFFAOYSA-N
MW430.54 g/mol
LogP1.86
Rot. Bonds19

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

2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 171770522) has the molecular formula C22H38O8 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID171770522
Molecular FormulaC22H38O8
Molecular Weight430.54 g/mol
Exact Mass430.26
IUPAC Name2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C22H38O8/c1-22(18-19-3-4-20(22)17-19)21(23)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-24-2/h3-4,19-20H,5-18H2,1-2H3
InChIKeyWRCMRBBSNUEEAB-UHFFFAOYSA-N
XLogP1.86
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 171770522) is 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is COCCOCCOCCOCCOCCOCCOC(=O)C1(C)CC2C=CC1C2.
What is the InChIKey of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is WRCMRBBSNUEEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8/c1-22(18-19-3-4-20(22)17-19)21(23)30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-24-2/h3-4,19-20H,5-18H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 430.54 g/mol, XLogP of 1.86, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 171770522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).