(2E,4E)-hexa-2,4-dienedioic acid

C6H6O4 — CID 5356793

IUPAC(2E,4E)-hexa-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/C(=O)O
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
InChIKeyTXXHDPDFNKHHGW-ZPUQHVIOSA-N
MW142.11 g/mol
LogP0.27
Rot. Bonds3

About (2E,4E)-hexa-2,4-dienedioic acid

(2E,4E)-hexa-2,4-dienedioic acid (PubChem CID 5356793) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienedioic acid.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienedioic acid
PubChem CID5356793
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name(2E,4E)-hexa-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/C(=O)O
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
InChIKeyTXXHDPDFNKHHGW-ZPUQHVIOSA-N
XLogP0.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Maleic Acid
CID 444266
Fumaric Acid
CID 444972
Sorbic Acid
CID 643460
Crotonic Acid
CID 637090
Sodium Fumarate
CID 6076814
cis,cis-Muconic acid
CID 5280518
2,4-Hexadienoic Acid
CID 5251
2-Butenedioic acid
CID 723
Isocrotonic acid
CID 643792
2-Butenoic acid
CID 19499
Maleic acid, monosodium salt
CID 23665635
Octa-2,4,6-trienoic acid
CID 5368831

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienedioic acid?
The IUPAC name of (2E,4E)-hexa-2,4-dienedioic acid (CID 5356793) is (2E,4E)-hexa-2,4-dienedioic acid.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienedioic acid?
The canonical SMILES for (2E,4E)-hexa-2,4-dienedioic acid is O=C(O)/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-hexa-2,4-dienedioic acid?
The InChIKey is TXXHDPDFNKHHGW-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+.
What are the key properties of (2E,4E)-hexa-2,4-dienedioic acid?
(2E,4E)-hexa-2,4-dienedioic acid has a molecular weight of 142.11 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienedioic acid is sourced from PubChem (CID 5356793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).