(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid

C14H14O4 — CID 131751555

IUPAC(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid
SMILESO=C(O)/C=C\C=C\C=C/C=C/C=C/C=C\C(=O)O
InChIInChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-
InChIKeyPXPBPRNNNVMUEY-GTLDOENYSA-N
MW246.26 g/mol
LogP2.49
Rot. Bonds7

About (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid

(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid (PubChem CID 131751555) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid.

Molecular Properties

Compound Name(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid
PubChem CID131751555
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid
SMILESO=C(O)/C=C\C=C\C=C/C=C/C=C/C=C\C(=O)O
InChIInChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-
InChIKeyPXPBPRNNNVMUEY-GTLDOENYSA-N
XLogP2.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid with MolForge

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Related Compounds

Maleic Acid
CID 444266
Fumaric Acid
CID 444972
Sorbic Acid
CID 643460
Muconic Acid
CID 5356793
Calcium sorbate
CID 6433506
cis,cis-Muconic acid
CID 5280518
2,4-Hexadienoic Acid
CID 5251
2-Butenedioic acid
CID 723
Octa-2,4,6-trienoic acid
CID 5368831
hydron;(E)-4-hydroxy-4-oxobut-2-enoate
CID 173073039
Penta-2,4-dienoic acid
CID 642034
(2Z,4E)-hexa-2,4-dienoic acid
CID 1549236

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid?
The IUPAC name of (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid (CID 131751555) is (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid.
What is the SMILES notation for (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid?
The canonical SMILES for (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid is O=C(O)/C=C\C=C\C=C/C=C/C=C/C=C\C(=O)O.
What is the InChIKey of (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid?
The InChIKey is PXPBPRNNNVMUEY-GTLDOENYSA-N. The full InChI is InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-.
What are the key properties of (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid?
(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid has a molecular weight of 246.26 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid is sourced from PubChem (CID 131751555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).