(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid

C7H8O3 — CID 88992940

IUPAC(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
SMILESC=C(O)/C=C\C=C/C(=O)O
InChIInChI=1S/C7H8O3/c1-6(8)4-2-3-5-7(9)10/h2-5,8H,1H2,(H,9,10)/b4-2-,5-3-
InChIKeyRTIQSYAGLMHINI-JVLMNHKTSA-N
MW140.14 g/mol
LogP1.26
Rot. Bonds3

About (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid

(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid (PubChem CID 88992940) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
PubChem CID88992940
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid
SMILESC=C(O)/C=C\C=C/C(=O)O
InChIInChI=1S/C7H8O3/c1-6(8)4-2-3-5-7(9)10/h2-5,8H,1H2,(H,9,10)/b4-2-,5-3-
InChIKeyRTIQSYAGLMHINI-JVLMNHKTSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-(1,6-13C2)hexa-2,4-dienedioic acid
CID 101364163
hexa-2,4-dienedioic acid
CID 310
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2Z,4E)-6-oxohexa-2,4-dienoic acid
CID 89003386
6-oxohepta-2,4-dienedioic acid
CID 54423435
ethanol;(2E,4E)-hexa-2,4-dienedioic acid
CID 174832152
(2E,4E,6E,8E,10E,12E)-14-oxotetradeca-2,4,6,8,10,12-hexaenoic acid
CID 10036819
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
hexa-2,4-dienoic acid;sulfane
CID 173071228

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid?
The IUPAC name of (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid (CID 88992940) is (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid.
What is the SMILES notation for (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid?
The canonical SMILES for (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid is C=C(O)/C=C\C=C/C(=O)O.
What is the InChIKey of (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid?
The InChIKey is RTIQSYAGLMHINI-JVLMNHKTSA-N. The full InChI is InChI=1S/C7H8O3/c1-6(8)4-2-3-5-7(9)10/h2-5,8H,1H2,(H,9,10)/b4-2-,5-3-.
What are the key properties of (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid?
(2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid has a molecular weight of 140.14 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-hydroxyhepta-2,4,6-trienoic acid is sourced from PubChem (CID 88992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).