2-ethyl-2,3,3-trimethylbutanedioic acid

C9H16O4 — CID 54557426

IUPAC2-ethyl-2,3,3-trimethylbutanedioic acid
SMILESCCC(C)(C(=O)O)C(C)(C)C(=O)O
InChIInChI=1S/C9H16O4/c1-5-9(4,7(12)13)8(2,3)6(10)11/h5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyZODKSGPLLQMWFL-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.60
Rot. Bonds4

About 2-ethyl-2,3,3-trimethylbutanedioic acid

2-ethyl-2,3,3-trimethylbutanedioic acid (PubChem CID 54557426) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethylbutanedioic acid.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethylbutanedioic acid
PubChem CID54557426
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-ethyl-2,3,3-trimethylbutanedioic acid
SMILESCCC(C)(C(=O)O)C(C)(C)C(=O)O
InChIInChI=1S/C9H16O4/c1-5-9(4,7(12)13)8(2,3)6(10)11/h5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyZODKSGPLLQMWFL-UHFFFAOYSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
CID 21063652
2-cyano-3-ethyl-2,3-dimethylbutanedioic acid
CID 57185326
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
2,2-dimethylbutanoic acid;methane
CID 159782886
2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
CID 158949436
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-fluoro-2-methylbutanoic acid
CID 11366977
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
(2S)-2-amino-2-methylbutanoic acid
CID 6971276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethylbutanedioic acid?
The IUPAC name of 2-ethyl-2,3,3-trimethylbutanedioic acid (CID 54557426) is 2-ethyl-2,3,3-trimethylbutanedioic acid.
What is the SMILES notation for 2-ethyl-2,3,3-trimethylbutanedioic acid?
The canonical SMILES for 2-ethyl-2,3,3-trimethylbutanedioic acid is CCC(C)(C(=O)O)C(C)(C)C(=O)O.
What is the InChIKey of 2-ethyl-2,3,3-trimethylbutanedioic acid?
The InChIKey is ZODKSGPLLQMWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-9(4,7(12)13)8(2,3)6(10)11/h5H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-ethyl-2,3,3-trimethylbutanedioic acid?
2-ethyl-2,3,3-trimethylbutanedioic acid has a molecular weight of 188.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethylbutanedioic acid is sourced from PubChem (CID 54557426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).