ethyl trideca-3,4-dienoate

C15H26O2 — CID 24976454

IUPACethyl trideca-3,4-dienoate
SMILESCCCCCCCCC=C=CCC(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h11,13H,3-10,14H2,1-2H3
InChIKeyYOSVUDWJMJEMDT-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.40
Rot. Bonds10

About ethyl trideca-3,4-dienoate

ethyl trideca-3,4-dienoate (PubChem CID 24976454) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl trideca-3,4-dienoate.

Molecular Properties

Compound Nameethyl trideca-3,4-dienoate
PubChem CID24976454
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl trideca-3,4-dienoate
SMILESCCCCCCCCC=C=CCC(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h11,13H,3-10,14H2,1-2H3
InChIKeyYOSVUDWJMJEMDT-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-undeca-4,5-dienylcarbamate
CID 102467257
octadeca-5,6-diene
CID 141110817
1-piperidin-1-ylundeca-3,4-dien-1-one
CID 71320410
ethyl (3Z,6Z)-dodeca-3,6-dienoate
CID 134980276
ethyl (E)-tridec-4-enoate
CID 10944557
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
octadeca-2,3-dien-1-ol
CID 138969077
dodeca-3,4-diene
CID 91492112
1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
CID 102431348
tetradeca-1,2-dienyl acetate
CID 145409573
CID 175771564
CID 175771564

Frequently Asked Questions

What is the IUPAC name of ethyl trideca-3,4-dienoate?
The IUPAC name of ethyl trideca-3,4-dienoate (CID 24976454) is ethyl trideca-3,4-dienoate.
What is the SMILES notation for ethyl trideca-3,4-dienoate?
The canonical SMILES for ethyl trideca-3,4-dienoate is CCCCCCCCC=C=CCC(=O)OCC.
What is the InChIKey of ethyl trideca-3,4-dienoate?
The InChIKey is YOSVUDWJMJEMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h11,13H,3-10,14H2,1-2H3.
What are the key properties of ethyl trideca-3,4-dienoate?
ethyl trideca-3,4-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl trideca-3,4-dienoate is sourced from PubChem (CID 24976454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).