(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid

C14H14O3 — CID 10036819

IUPAC(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C14H14O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H,(H,16,17)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKeyLZMJRCBTORJBEV-CZBFJCMTSA-N
MW230.26 g/mol
LogP2.61
Rot. Bonds7

About (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid

(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid (PubChem CID 10036819) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid
PubChem CID10036819
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C14H14O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H,(H,16,17)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKeyLZMJRCBTORJBEV-CZBFJCMTSA-N
XLogP2.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid with MolForge

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Related Compounds

(2Z,4E)-6-oxohexa-2,4-dienoic acid
CID 89003386
(2E,4E)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
6-oxohepta-2,4-dienal
CID 54295604
(2E,4E,6E)-7-aminohepta-2,4,6-trienoic acid
CID 101066529
[(1E,3E,5E)-6-carboxyhexa-1,3,5-trienyl]azanium
CID 102098787
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
CID 88992940
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
6-oxohepta-2,4-dienedioic acid
CID 54423435
ethanol;(2E,4E)-hexa-2,4-dienedioic acid
CID 174832152
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid?
The IUPAC name of (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid (CID 10036819) is (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid?
The canonical SMILES for (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid is O=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid?
The InChIKey is LZMJRCBTORJBEV-CZBFJCMTSA-N. The full InChI is InChI=1S/C14H14O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H,(H,16,17)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+.
What are the key properties of (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid?
(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid is sourced from PubChem (CID 10036819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).