2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid

C10H14O6 — CID 22289166

IUPAC2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(C)(CC(=O)OCC)C(=O)O
InChIInChI=1S/C10H14O6/c1-4-16-7(11)5-10(3,9(14)15)6(2)8(12)13/h2,4-5H2,1,3H3,(H,12,13)(H,14,15)
InChIKeyMTYGUZWEYIACBI-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.67
Rot. Bonds6

About 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid

2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid (PubChem CID 22289166) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid
PubChem CID22289166
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(C)(CC(=O)OCC)C(=O)O
InChIInChI=1S/C10H14O6/c1-4-16-7(11)5-10(3,9(14)15)6(2)8(12)13/h2,4-5H2,1,3H3,(H,12,13)(H,14,15)
InChIKeyMTYGUZWEYIACBI-UHFFFAOYSA-N
XLogP0.67
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-oxoethyl)-2-methyl-3-methylidenebutanedioic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid (CID 22289166) is 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid is C=C(C(=O)O)C(C)(CC(=O)OCC)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid?
The InChIKey is MTYGUZWEYIACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-4-16-7(11)5-10(3,9(14)15)6(2)8(12)13/h2,4-5H2,1,3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid?
2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid has a molecular weight of 230.22 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-2-methyl-3-methylidenebutanedioic acid is sourced from PubChem (CID 22289166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).