2-(2,2-diethoxyethoxy)butanedioic acid

C10H18O7 — CID 150684486

IUPAC2-(2,2-diethoxyethoxy)butanedioic acid
SMILESCCOC(COC(CC(=O)O)C(=O)O)OCC
InChIInChI=1S/C10H18O7/c1-3-15-9(16-4-2)6-17-7(10(13)14)5-8(11)12/h7,9H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJIOCZJJGNBKQFU-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.33
Rot. Bonds10

About 2-(2,2-diethoxyethoxy)butanedioic acid

2-(2,2-diethoxyethoxy)butanedioic acid (PubChem CID 150684486) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)butanedioic acid.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)butanedioic acid
PubChem CID150684486
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name2-(2,2-diethoxyethoxy)butanedioic acid
SMILESCCOC(COC(CC(=O)O)C(=O)O)OCC
InChIInChI=1S/C10H18O7/c1-3-15-9(16-4-2)6-17-7(10(13)14)5-8(11)12/h7,9H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJIOCZJJGNBKQFU-UHFFFAOYSA-N
XLogP0.33
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethoxybutanedioic acid
CID 101245963
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430
2-(2-deuterioethoxy)butanedioic acid
CID 175726030
CID 159903683
CID 159903683
2-(aminomethoxy)butanedioic acid
CID 174248592
2-nonadecoxybutanedioic acid
CID 122611322
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
3-ethoxybutanoic acid
CID 20508399
2-(10,10-diethoxydecyl)butanedioic acid
CID 175433679
propane-1,2-diol;2-propoxybutanedioic acid
CID 87565394
2-triethoxysilyloxybutanedioic acid
CID 10957429
2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)butanedioic acid?
The IUPAC name of 2-(2,2-diethoxyethoxy)butanedioic acid (CID 150684486) is 2-(2,2-diethoxyethoxy)butanedioic acid.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)butanedioic acid?
The canonical SMILES for 2-(2,2-diethoxyethoxy)butanedioic acid is CCOC(COC(CC(=O)O)C(=O)O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)butanedioic acid?
The InChIKey is JIOCZJJGNBKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c1-3-15-9(16-4-2)6-17-7(10(13)14)5-8(11)12/h7,9H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2,2-diethoxyethoxy)butanedioic acid?
2-(2,2-diethoxyethoxy)butanedioic acid has a molecular weight of 250.25 g/mol, XLogP of 0.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)butanedioic acid is sourced from PubChem (CID 150684486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).