2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid

C10H14O8 — CID 88536237

IUPAC2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H8O2.C4H6O6/c1-2-3-4-5-6(7)8;5-1(3(7)8)2(6)4(9)10/h2-5H,1H3,(H,7,8);1-2,5-6H,(H,7,8)(H,9,10)/b3-2+,5-4+;
InChIKeyBQPXSRGKPPWSIA-STWYSWDKSA-N
MW262.21 g/mol
LogP-0.92
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid

2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid (PubChem CID 88536237) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid
PubChem CID88536237
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid
SMILESC/C=C/C=C/C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H8O2.C4H6O6/c1-2-3-4-5-6(7)8;5-1(3(7)8)2(6)4(9)10/h2-5H,1H3,(H,7,8);1-2,5-6H,(H,7,8)(H,9,10)/b3-2+,5-4+;
InChIKeyBQPXSRGKPPWSIA-STWYSWDKSA-N
XLogP-0.92
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

hexa-2,4-dienoic acid;propan-2-ol
CID 174930282
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
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
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
dipotassium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173074138
calcium;bis((2E,4E)-hexa-2,4-dienoic acid);hydride
CID 173392537
strontium;(2E,4E)-hexa-2,4-dienoic acid;hydride
CID 173012904
calcium;hexa-2,4-dienoic acid;hydride
CID 172999135
benzene;hexa-2,4-dienoic acid
CID 173310837

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid (CID 88536237) is 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid is C/C=C/C=C/C(=O)O.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid?
The InChIKey is BQPXSRGKPPWSIA-STWYSWDKSA-N. The full InChI is InChI=1S/C6H8O2.C4H6O6/c1-2-3-4-5-6(7)8;5-1(3(7)8)2(6)4(9)10/h2-5H,1H3,(H,7,8);1-2,5-6H,(H,7,8)(H,9,10)/b3-2+,5-4+;.
What are the key properties of 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid?
2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid has a molecular weight of 262.21 g/mol, XLogP of -0.92, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid is sourced from PubChem (CID 88536237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).