ethyl 11-cyclopent-2-en-1-ylundecanoate

C18H32O2 — CID 19082

IUPACethyl 11-cyclopent-2-en-1-ylundecanoate
SMILESCCOC(=O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3
InChIKeyIXHZJQBOONNARJ-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.42
Rot. Bonds12

About ethyl 11-cyclopent-2-en-1-ylundecanoate

ethyl 11-cyclopent-2-en-1-ylundecanoate (PubChem CID 19082) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is ethyl 11-cyclopent-2-en-1-ylundecanoate.

Molecular Properties

Compound Nameethyl 11-cyclopent-2-en-1-ylundecanoate
PubChem CID19082
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Nameethyl 11-cyclopent-2-en-1-ylundecanoate
SMILESCCOC(=O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3
InChIKeyIXHZJQBOONNARJ-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.42
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 ethyl 11-cyclopent-2-en-1-ylundecanoate?
The IUPAC name of ethyl 11-cyclopent-2-en-1-ylundecanoate (CID 19082) is ethyl 11-cyclopent-2-en-1-ylundecanoate.
What is the SMILES notation for ethyl 11-cyclopent-2-en-1-ylundecanoate?
The canonical SMILES for ethyl 11-cyclopent-2-en-1-ylundecanoate is CCOC(=O)CCCCCCCCCCC1C=CCC1.
What is the InChIKey of ethyl 11-cyclopent-2-en-1-ylundecanoate?
The InChIKey is IXHZJQBOONNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3.
What are the key properties of ethyl 11-cyclopent-2-en-1-ylundecanoate?
ethyl 11-cyclopent-2-en-1-ylundecanoate has a molecular weight of 280.45 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-cyclopent-2-en-1-ylundecanoate is sourced from PubChem (CID 19082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).