(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide

C6H10O4 — CID 22237716

IUPAC(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
SMILESC/C=C/C=C/C(=O)O.OO
InChIInChI=1S/C6H8O2.H2O2/c1-2-3-4-5-6(7)8;1-2/h2-5H,1H3,(H,7,8);1-2H/b3-2+,5-4+;
InChIKeyZXCJOGQLZQJTHZ-STWYSWDKSA-N
MW146.14 g/mol
LogP1.22
Rot. Bonds2

About (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide

(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide (PubChem CID 22237716) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
PubChem CID22237716
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
SMILESC/C=C/C=C/C(=O)O.OO
InChIInChI=1S/C6H8O2.H2O2/c1-2-3-4-5-6(7)8;1-2/h2-5H,1H3,(H,7,8);1-2H/b3-2+,5-4+;
InChIKeyZXCJOGQLZQJTHZ-STWYSWDKSA-N
XLogP1.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
calcium;bis((2E,4E)-hexa-2,4-dienoic acid);hydride
CID 173392537
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
calcium;hexa-2,4-dienoic acid;hydride
CID 172999135
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904
benzene;hexa-2,4-dienoic acid
CID 173310837
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide?
The IUPAC name of (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide (CID 22237716) is (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide?
The canonical SMILES for (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide is C/C=C/C=C/C(=O)O.OO.
What is the InChIKey of (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide?
The InChIKey is ZXCJOGQLZQJTHZ-STWYSWDKSA-N. The full InChI is InChI=1S/C6H8O2.H2O2/c1-2-3-4-5-6(7)8;1-2/h2-5H,1H3,(H,7,8);1-2H/b3-2+,5-4+;.
What are the key properties of (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide?
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide has a molecular weight of 146.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide is sourced from PubChem (CID 22237716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).