tetradeca-2,4,6-trienedioic acid

C14H20O4 — CID 123267309

IUPACtetradeca-2,4,6-trienedioic acid
SMILESO=C(O)C=CC=CC=CCCCCCCC(=O)O
InChIInChI=1S/C14H20O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3,5,7,9,11H,2,4,6,8,10,12H2,(H,15,16)(H,17,18)
InChIKeyCVHUJHRMKXFMIX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.16
Rot. Bonds10

About tetradeca-2,4,6-trienedioic acid

tetradeca-2,4,6-trienedioic acid (PubChem CID 123267309) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is tetradeca-2,4,6-trienedioic acid.

Molecular Properties

Compound Nametetradeca-2,4,6-trienedioic acid
PubChem CID123267309
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nametetradeca-2,4,6-trienedioic acid
SMILESO=C(O)C=CC=CC=CCCCCCCC(=O)O
InChIInChI=1S/C14H20O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3,5,7,9,11H,2,4,6,8,10,12H2,(H,15,16)(H,17,18)
InChIKeyCVHUJHRMKXFMIX-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
CID 87404974
nonadeca-2,4,6-trienedioic acid
CID 123861344
(2E,4E,6E)-heptadeca-2,4,6-trienedioic acid
CID 87404781
(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
(2E,4E)-undeca-2,4-dienedioic acid
CID 87404972
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(Z)-tetracos-15-enoic acid
CID 118104873
(Z)-undec-2-enedioic acid
CID 59435158
docosa-2,4,6,8,10-pentaenoic acid;(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
CID 87118761
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
20-oxoicosa-2,4,6,8-tetraenoic acid
CID 54530292
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838

Frequently Asked Questions

What is the IUPAC name of tetradeca-2,4,6-trienedioic acid?
The IUPAC name of tetradeca-2,4,6-trienedioic acid (CID 123267309) is tetradeca-2,4,6-trienedioic acid.
What is the SMILES notation for tetradeca-2,4,6-trienedioic acid?
The canonical SMILES for tetradeca-2,4,6-trienedioic acid is O=C(O)C=CC=CC=CCCCCCCC(=O)O.
What is the InChIKey of tetradeca-2,4,6-trienedioic acid?
The InChIKey is CVHUJHRMKXFMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1,3,5,7,9,11H,2,4,6,8,10,12H2,(H,15,16)(H,17,18).
What are the key properties of tetradeca-2,4,6-trienedioic acid?
tetradeca-2,4,6-trienedioic acid has a molecular weight of 252.31 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-2,4,6-trienedioic acid is sourced from PubChem (CID 123267309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).