2,2,3,3-tetraethylbutanedioic acid

C12H22O4 — CID 23424098

IUPAC2,2,3,3-tetraethylbutanedioic acid
SMILESCCC(CC)(C(=O)O)C(CC)(CC)C(=O)O
InChIInChI=1S/C12H22O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyCQCFISPMNREOQX-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.77
Rot. Bonds7

About 2,2,3,3-tetraethylbutanedioic acid

2,2,3,3-tetraethylbutanedioic acid (PubChem CID 23424098) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,2,3,3-tetraethylbutanedioic acid.

Molecular Properties

Compound Name2,2,3,3-tetraethylbutanedioic acid
PubChem CID23424098
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,2,3,3-tetraethylbutanedioic acid
SMILESCCC(CC)(C(=O)O)C(CC)(CC)C(=O)O
InChIInChI=1S/C12H22O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyCQCFISPMNREOQX-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825
2,2,3,3,4-pentaethylhexanoic acid
CID 141157055
2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoic acid
CID 105436909
azane;2,2,3,3,4-pentaethylhexanoic acid
CID 174541708
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);propanoic acid
CID 175379209
2,2-diethyl-3,3-dimethyl-4-phosphonobutanoic acid
CID 173238819
2,2-diethyl-3-methyl-3-phenylbutanoic acid
CID 68577866
azane;2,2-diethylbutanoic acid
CID 173369262
2-ethoxy-3-ethylpentane-1,2,3-tricarboxylic acid
CID 18458326
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);bis(propan-2-ol);zirconium
CID 173047546

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraethylbutanedioic acid?
The IUPAC name of 2,2,3,3-tetraethylbutanedioic acid (CID 23424098) is 2,2,3,3-tetraethylbutanedioic acid.
What is the SMILES notation for 2,2,3,3-tetraethylbutanedioic acid?
The canonical SMILES for 2,2,3,3-tetraethylbutanedioic acid is CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O.
What is the InChIKey of 2,2,3,3-tetraethylbutanedioic acid?
The InChIKey is CQCFISPMNREOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-11(6-2,9(13)14)12(7-3,8-4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2,2,3,3-tetraethylbutanedioic acid?
2,2,3,3-tetraethylbutanedioic acid has a molecular weight of 230.30 g/mol, XLogP of 2.77, 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-tetraethylbutanedioic acid is sourced from PubChem (CID 23424098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).