ethyl tetradeca-4,8,12-trienoate

C16H26O2 — CID 141176666

IUPACethyl tetradeca-4,8,12-trienoate
SMILESCC=CCCC=CCCC=CCCC(=O)OCC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3,5,8-9,12-13H,4,6-7,10-11,14-15H2,1-2H3
InChIKeyKOLKLWAIWKEDLW-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.58
Rot. Bonds10

About ethyl tetradeca-4,8,12-trienoate

ethyl tetradeca-4,8,12-trienoate (PubChem CID 141176666) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethyl tetradeca-4,8,12-trienoate.

Molecular Properties

Compound Nameethyl tetradeca-4,8,12-trienoate
PubChem CID141176666
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethyl tetradeca-4,8,12-trienoate
SMILESCC=CCCC=CCCC=CCCC(=O)OCC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3,5,8-9,12-13H,4,6-7,10-11,14-15H2,1-2H3
InChIKeyKOLKLWAIWKEDLW-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.58
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

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[(E)-pent-3-enyl] (E)-hex-4-enoate
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butyl (E)-hex-4-enoate
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ethyl (E)-5-cyanopent-4-enoate
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ethyl 6,7-dihydroxyhept-4-enoate
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ethyl 6-chlorohept-4-enoate
CID 71371400
ethyl pent-4-enoate;dihydrochloride
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ethyl (Z)-7-hydroxyhept-5-enoate
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1-O-ethyl 4-O-[(E)-hex-3-enyl] butanedioate
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Frequently Asked Questions

What is the IUPAC name of ethyl tetradeca-4,8,12-trienoate?
The IUPAC name of ethyl tetradeca-4,8,12-trienoate (CID 141176666) is ethyl tetradeca-4,8,12-trienoate.
What is the SMILES notation for ethyl tetradeca-4,8,12-trienoate?
The canonical SMILES for ethyl tetradeca-4,8,12-trienoate is CC=CCCC=CCCC=CCCC(=O)OCC.
What is the InChIKey of ethyl tetradeca-4,8,12-trienoate?
The InChIKey is KOLKLWAIWKEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3,5,8-9,12-13H,4,6-7,10-11,14-15H2,1-2H3.
What are the key properties of ethyl tetradeca-4,8,12-trienoate?
ethyl tetradeca-4,8,12-trienoate has a molecular weight of 250.38 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetradeca-4,8,12-trienoate is sourced from PubChem (CID 141176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).