2-(2-ethoxy-2-oxoethylidene)butanedioate

C8H8O6-2 — CID 71434979

IUPAC2-(2-ethoxy-2-oxoethylidene)butanedioate
SMILESCCOC(=O)C=C(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/p-2
InChIKeyANIDMCPGEUWERH-UHFFFAOYSA-L
MW200.15 g/mol
LogP-2.63
Rot. Bonds5

About 2-(2-ethoxy-2-oxoethylidene)butanedioate

2-(2-ethoxy-2-oxoethylidene)butanedioate (PubChem CID 71434979) has the molecular formula C8H8O6-2 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethylidene)butanedioate.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethylidene)butanedioate
PubChem CID71434979
Molecular FormulaC8H8O6-2
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name2-(2-ethoxy-2-oxoethylidene)butanedioate
SMILESCCOC(=O)C=C(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/p-2
InChIKeyANIDMCPGEUWERH-UHFFFAOYSA-L
XLogP-2.63
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethylidene)butanedioate?
The IUPAC name of 2-(2-ethoxy-2-oxoethylidene)butanedioate (CID 71434979) is 2-(2-ethoxy-2-oxoethylidene)butanedioate.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethylidene)butanedioate?
The canonical SMILES for 2-(2-ethoxy-2-oxoethylidene)butanedioate is CCOC(=O)C=C(CC(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-(2-ethoxy-2-oxoethylidene)butanedioate?
The InChIKey is ANIDMCPGEUWERH-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)/p-2.
What are the key properties of 2-(2-ethoxy-2-oxoethylidene)butanedioate?
2-(2-ethoxy-2-oxoethylidene)butanedioate has a molecular weight of 200.15 g/mol, XLogP of -2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethylidene)butanedioate is sourced from PubChem (CID 71434979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).