(3E,5Z)-tetradeca-3,5-dienoate

C14H23O2- — CID 25245804

IUPAC(3E,5Z)-tetradeca-3,5-dienoate
SMILESCCCCCCCC/C=C\C=C\CC(=O)[O-]
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/p-1/b10-9-,12-11+
InChIKeyYRUMHTHCEZRHTN-XAZJVICWSA-M
MW223.34 g/mol
LogP2.99
Rot. Bonds10

About (3E,5Z)-tetradeca-3,5-dienoate

(3E,5Z)-tetradeca-3,5-dienoate (PubChem CID 25245804) has the molecular formula C14H23O2- and a molecular weight of 223.34 g/mol. Its IUPAC name is (3E,5Z)-tetradeca-3,5-dienoate.

Molecular Properties

Compound Name(3E,5Z)-tetradeca-3,5-dienoate
PubChem CID25245804
Molecular FormulaC14H23O2-
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name(3E,5Z)-tetradeca-3,5-dienoate
SMILESCCCCCCCC/C=C\C=C\CC(=O)[O-]
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/p-1/b10-9-,12-11+
InChIKeyYRUMHTHCEZRHTN-XAZJVICWSA-M
XLogP2.99
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
octadeca-3,5-dienoic acid
CID 54573818
pentadeca-3,5-dienoic acid
CID 91404982
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
(9Z,11E,13Z)-octadeca-9,11,13-trienoate
CID 25244650
(22E)-heptatetraconta-22,24-diene
CID 56629131
lithium docosa-2,4,6,8,10,12-hexaenoate
CID 74087716
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678
silver docosa-2,4,6,8,10,12-hexaenoate
CID 173148941

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-tetradeca-3,5-dienoate?
The IUPAC name of (3E,5Z)-tetradeca-3,5-dienoate (CID 25245804) is (3E,5Z)-tetradeca-3,5-dienoate.
What is the SMILES notation for (3E,5Z)-tetradeca-3,5-dienoate?
The canonical SMILES for (3E,5Z)-tetradeca-3,5-dienoate is CCCCCCCC/C=C\C=C\CC(=O)[O-].
What is the InChIKey of (3E,5Z)-tetradeca-3,5-dienoate?
The InChIKey is YRUMHTHCEZRHTN-XAZJVICWSA-M. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/p-1/b10-9-,12-11+.
What are the key properties of (3E,5Z)-tetradeca-3,5-dienoate?
(3E,5Z)-tetradeca-3,5-dienoate has a molecular weight of 223.34 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-tetradeca-3,5-dienoate is sourced from PubChem (CID 25245804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).