2,2,3,3-tetrakis(ethenyl)butanedioic acid

C12H14O4 — CID 22366958

IUPAC2,2,3,3-tetrakis(ethenyl)butanedioic acid
SMILESC=CC(C=C)(C(=O)O)C(C=C)(C=C)C(=O)O
InChIInChI=1S/C12H14O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyFDCUNMFSCOIWND-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.87
Rot. Bonds7

About 2,2,3,3-tetrakis(ethenyl)butanedioic acid

2,2,3,3-tetrakis(ethenyl)butanedioic acid (PubChem CID 22366958) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,2,3,3-tetrakis(ethenyl)butanedioic acid.

Molecular Properties

Compound Name2,2,3,3-tetrakis(ethenyl)butanedioic acid
PubChem CID22366958
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,2,3,3-tetrakis(ethenyl)butanedioic acid
SMILESC=CC(C=C)(C(=O)O)C(C=C)(C=C)C(=O)O
InChIInChI=1S/C12H14O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyFDCUNMFSCOIWND-UHFFFAOYSA-N
XLogP1.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.87
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 2,2,3,3-tetrakis(ethenyl)butanedioic acid?
The IUPAC name of 2,2,3,3-tetrakis(ethenyl)butanedioic acid (CID 22366958) is 2,2,3,3-tetrakis(ethenyl)butanedioic acid.
What is the SMILES notation for 2,2,3,3-tetrakis(ethenyl)butanedioic acid?
The canonical SMILES for 2,2,3,3-tetrakis(ethenyl)butanedioic acid is C=CC(C=C)(C(=O)O)C(C=C)(C=C)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrakis(ethenyl)butanedioic acid?
The InChIKey is FDCUNMFSCOIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 2,2,3,3-tetrakis(ethenyl)butanedioic acid?
2,2,3,3-tetrakis(ethenyl)butanedioic acid has a molecular weight of 222.24 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrakis(ethenyl)butanedioic acid is sourced from PubChem (CID 22366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).