2,2-bis(ethenyl)butanedioic acid

C8H10O4 — CID 19008517

IUPAC2,2-bis(ethenyl)butanedioic acid
SMILESC=CC(C=C)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O4/c1-3-8(4-2,7(11)12)5-6(9)10/h3-4H,1-2,5H2,(H,9,10)(H,11,12)
InChIKeyPIQFCCXKMPWLRI-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.90
Rot. Bonds5

About 2,2-bis(ethenyl)butanedioic acid

2,2-bis(ethenyl)butanedioic acid (PubChem CID 19008517) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,2-bis(ethenyl)butanedioic acid.

Molecular Properties

Compound Name2,2-bis(ethenyl)butanedioic acid
PubChem CID19008517
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2,2-bis(ethenyl)butanedioic acid
SMILESC=CC(C=C)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O4/c1-3-8(4-2,7(11)12)5-6(9)10/h3-4H,1-2,5H2,(H,9,10)(H,11,12)
InChIKeyPIQFCCXKMPWLRI-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-methylbut-3-enoic acid
CID 14793166
2-Ethenylbutanedioic acid
CID 14325576
2-Methyl-2-prop-2-enylbutanedioic acid
CID 13886846
3-Ethenyl-3-methylpent-4-enoic acid
CID 55303083
2-(2-Methoxy-2-oxoethyl)-2-methylbut-3-enoic acid
CID 134917055
(2S)-2-methyl-2-prop-2-enylbutanedioic acid
CID 10821074
3-Methoxycarbonyl-2,2-dimethylpent-4-enoic acid
CID 101805755
2,3-Bis(ethenyl)butanedioic acid
CID 12914645
2,2,3,3-Tetrakis(ethenyl)butanedioic acid
CID 22366958
2-Ethyl-2-methylpenta-3,4-dienoic acid
CID 53445313
2,2-Bis(but-1-enyl)butanedioic acid
CID 54183717
2,2-Bis(prop-2-enyl)butanedioic acid
CID 54379442

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenyl)butanedioic acid?
The IUPAC name of 2,2-bis(ethenyl)butanedioic acid (CID 19008517) is 2,2-bis(ethenyl)butanedioic acid.
What is the SMILES notation for 2,2-bis(ethenyl)butanedioic acid?
The canonical SMILES for 2,2-bis(ethenyl)butanedioic acid is C=CC(C=C)(CC(=O)O)C(=O)O.
What is the InChIKey of 2,2-bis(ethenyl)butanedioic acid?
The InChIKey is PIQFCCXKMPWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-8(4-2,7(11)12)5-6(9)10/h3-4H,1-2,5H2,(H,9,10)(H,11,12).
What are the key properties of 2,2-bis(ethenyl)butanedioic acid?
2,2-bis(ethenyl)butanedioic acid has a molecular weight of 170.16 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)butanedioic acid is sourced from PubChem (CID 19008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).