(2Z,4E)-2-hydroxyocta-2,4-dienoic acid

C8H12O3 — CID 87665595

IUPAC(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
SMILESCCC/C=C/C=C(\O)C(=O)O
InChIInChI=1S/C8H12O3/c1-2-3-4-5-6-7(9)8(10)11/h4-6,9H,2-3H2,1H3,(H,10,11)/b5-4+,7-6-
InChIKeyZVRMWMVNEGTTIC-DEQVHDEQSA-N
MW156.18 g/mol
LogP1.87
Rot. Bonds4

About (2Z,4E)-2-hydroxyocta-2,4-dienoic acid

(2Z,4E)-2-hydroxyocta-2,4-dienoic acid (PubChem CID 87665595) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2Z,4E)-2-hydroxyocta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
PubChem CID87665595
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
SMILESCCC/C=C/C=C(\O)C(=O)O
InChIInChI=1S/C8H12O3/c1-2-3-4-5-6-7(9)8(10)11/h4-6,9H,2-3H2,1H3,(H,10,11)/b5-4+,7-6-
InChIKeyZVRMWMVNEGTTIC-DEQVHDEQSA-N
XLogP1.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.87
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

2-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020
3-methylnona-3,5-dien-2-one
CID 173004598
2-methyldeca-2,4,6-trienoic acid
CID 54490128
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienoic acid
CID 20839721
7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid
CID 169110944
potassium 2-hydroxyicosa-2,4-dienoate
CID 172807710
(E)-hex-2-enoic acid
CID 5282707
(3E)-nona-3,5-dien-2-one
CID 131243861
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
2-propyldeca-2,4-dienoic acid
CID 54309324
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(2E,4Z)-2-hexyldeca-2,4-dienoic acid
CID 87447693

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-hydroxyocta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2-hydroxyocta-2,4-dienoic acid (CID 87665595) is (2Z,4E)-2-hydroxyocta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2-hydroxyocta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2-hydroxyocta-2,4-dienoic acid is CCC/C=C/C=C(\O)C(=O)O.
What is the InChIKey of (2Z,4E)-2-hydroxyocta-2,4-dienoic acid?
The InChIKey is ZVRMWMVNEGTTIC-DEQVHDEQSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-4-5-6-7(9)8(10)11/h4-6,9H,2-3H2,1H3,(H,10,11)/b5-4+,7-6-.
What are the key properties of (2Z,4E)-2-hydroxyocta-2,4-dienoic acid?
(2Z,4E)-2-hydroxyocta-2,4-dienoic acid has a molecular weight of 156.18 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-hydroxyocta-2,4-dienoic acid is sourced from PubChem (CID 87665595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).