ethyl (5E,8Z)-tetradeca-5,8-dienoate

C16H28O2 — CID 131752558

IUPACethyl (5E,8Z)-tetradeca-5,8-dienoate
SMILESCCCCC/C=C\C/C=C/CCCC(=O)OCC
InChIInChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+
InChIKeyUHRNCGFBWFZBLC-UONSLQGUSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About ethyl (5E,8Z)-tetradeca-5,8-dienoate

ethyl (5E,8Z)-tetradeca-5,8-dienoate (PubChem CID 131752558) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is ethyl (5E,8Z)-tetradeca-5,8-dienoate.

Molecular Properties

Compound Nameethyl (5E,8Z)-tetradeca-5,8-dienoate
PubChem CID131752558
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Nameethyl (5E,8Z)-tetradeca-5,8-dienoate
SMILESCCCCC/C=C\C/C=C/CCCC(=O)OCC
InChIInChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+
InChIKeyUHRNCGFBWFZBLC-UONSLQGUSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
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 (5E,8Z)-tetradeca-5,8-dienoate?
The IUPAC name of ethyl (5E,8Z)-tetradeca-5,8-dienoate (CID 131752558) is ethyl (5E,8Z)-tetradeca-5,8-dienoate.
What is the SMILES notation for ethyl (5E,8Z)-tetradeca-5,8-dienoate?
The canonical SMILES for ethyl (5E,8Z)-tetradeca-5,8-dienoate is CCCCC/C=C\C/C=C/CCCC(=O)OCC.
What is the InChIKey of ethyl (5E,8Z)-tetradeca-5,8-dienoate?
The InChIKey is UHRNCGFBWFZBLC-UONSLQGUSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3/b9-8-,12-11+.
What are the key properties of ethyl (5E,8Z)-tetradeca-5,8-dienoate?
ethyl (5E,8Z)-tetradeca-5,8-dienoate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E,8Z)-tetradeca-5,8-dienoate is sourced from PubChem (CID 131752558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).