2,3-bis(ethenyl)butanedioic acid

C8H10O4 — CID 12914645

IUPAC2,3-bis(ethenyl)butanedioic acid
SMILESC=CC(C(=O)O)C(C=C)C(=O)O
InChIInChI=1S/C8H10O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
InChIKeyOAEVHAGNMAGWLR-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.76
Rot. Bonds5

About 2,3-bis(ethenyl)butanedioic acid

2,3-bis(ethenyl)butanedioic acid (PubChem CID 12914645) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,3-bis(ethenyl)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(ethenyl)butanedioic acid
PubChem CID12914645
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2,3-bis(ethenyl)butanedioic acid
SMILESC=CC(C(=O)O)C(C=C)C(=O)O
InChIInChI=1S/C8H10O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
InChIKeyOAEVHAGNMAGWLR-UHFFFAOYSA-N
XLogP0.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)butanedioic acid?
The IUPAC name of 2,3-bis(ethenyl)butanedioic acid (CID 12914645) is 2,3-bis(ethenyl)butanedioic acid.
What is the SMILES notation for 2,3-bis(ethenyl)butanedioic acid?
The canonical SMILES for 2,3-bis(ethenyl)butanedioic acid is C=CC(C(=O)O)C(C=C)C(=O)O.
What is the InChIKey of 2,3-bis(ethenyl)butanedioic acid?
The InChIKey is OAEVHAGNMAGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2,3-bis(ethenyl)butanedioic acid?
2,3-bis(ethenyl)butanedioic acid has a molecular weight of 170.16 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)butanedioic acid is sourced from PubChem (CID 12914645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).