2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid

C15H24O8 — CID 22289026

IUPAC2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CCOCC)(CC(=O)OCCOCC)C(=O)O
InChIInChI=1S/C15H24O8/c1-4-21-7-6-15(14(19)20,11(3)13(17)18)10-12(16)23-9-8-22-5-2/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVETNNKGNMQOVEQ-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.09
Rot. Bonds13

About 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid

2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid (PubChem CID 22289026) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid
PubChem CID22289026
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid
SMILESC=C(C(=O)O)C(CCOCC)(CC(=O)OCCOCC)C(=O)O
InChIInChI=1S/C15H24O8/c1-4-21-7-6-15(14(19)20,11(3)13(17)18)10-12(16)23-9-8-22-5-2/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVETNNKGNMQOVEQ-UHFFFAOYSA-N
XLogP1.09
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-2,2-bis[2-oxo-2-(2-propoxyethoxy)ethyl]butanedioic acid
CID 22289675
2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
CID 22289515
2-(2-cyclohexyl-2-oxoethyl)-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid
CID 22289247
2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-ethyl-3-methylidenebutanedioate
CID 22289159
2-(2-methoxyethyl)-3-methylidene-2-(2-oxobutyl)butanedioic acid
CID 22289074
2-[2-(2-methylprop-2-enoyloxy)ethyl]but-3-ene-1,2,3-tricarboxylic acid
CID 90808547
2-benzyl-2-[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
CID 22289332
2-(2-cyclopentyloxy-2-oxoethyl)-2-(2-methoxyethyl)-3-methylidenebutanedioic acid
CID 22289132
2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002390
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid?
The IUPAC name of 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid (CID 22289026) is 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid is C=C(C(=O)O)C(CCOCC)(CC(=O)OCCOCC)C(=O)O.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid?
The InChIKey is VETNNKGNMQOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O8/c1-4-21-7-6-15(14(19)20,11(3)13(17)18)10-12(16)23-9-8-22-5-2/h3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid?
2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid has a molecular weight of 332.35 g/mol, XLogP of 1.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)-2-oxoethyl]-2-(2-ethoxyethyl)-3-methylidenebutanedioic acid is sourced from PubChem (CID 22289026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).