ethyl 13-cyclopent-2-en-1-yltridecanoate

C20H36O2 — CID 2700

IUPACethyl 13-cyclopent-2-en-1-yltridecanoate
SMILESCCOC(=O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3
InChIKeyFDGHZUQYDACRTA-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.20
Rot. Bonds14

About ethyl 13-cyclopent-2-en-1-yltridecanoate

ethyl 13-cyclopent-2-en-1-yltridecanoate (PubChem CID 2700) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is ethyl 13-cyclopent-2-en-1-yltridecanoate.

Molecular Properties

Compound Nameethyl 13-cyclopent-2-en-1-yltridecanoate
PubChem CID2700
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Nameethyl 13-cyclopent-2-en-1-yltridecanoate
SMILESCCOC(=O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3
InChIKeyFDGHZUQYDACRTA-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.20
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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Related Compounds

Ethyl Oleate
CID 5363269
Butyl Oleate
CID 5354342
Ethyl linolenate
CID 5367460
Cetyl Oleate
CID 5377655
Ethyl Linoleate
CID 5282184
Decyl Oleate
CID 5363234
Stearyl oleate
CID 5365194
Ethyl (9E,12E,15E)-Octadeca-9,12,15-Trienoate
CID 6371716
9,12-Octadecadienoic acid, ethyl ester
CID 5365672
Oleyl Oleate
CID 5364672
Isopropyl Oleate
CID 5356108
Citronellyl dodecanoate
CID 21263168

Frequently Asked Questions

What is the IUPAC name of ethyl 13-cyclopent-2-en-1-yltridecanoate?
The IUPAC name of ethyl 13-cyclopent-2-en-1-yltridecanoate (CID 2700) is ethyl 13-cyclopent-2-en-1-yltridecanoate.
What is the SMILES notation for ethyl 13-cyclopent-2-en-1-yltridecanoate?
The canonical SMILES for ethyl 13-cyclopent-2-en-1-yltridecanoate is CCOC(=O)CCCCCCCCCCCCC1C=CCC1.
What is the InChIKey of ethyl 13-cyclopent-2-en-1-yltridecanoate?
The InChIKey is FDGHZUQYDACRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3.
What are the key properties of ethyl 13-cyclopent-2-en-1-yltridecanoate?
ethyl 13-cyclopent-2-en-1-yltridecanoate has a molecular weight of 308.51 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 13-cyclopent-2-en-1-yltridecanoate is sourced from PubChem (CID 2700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).