4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid

C14H24O6 — CID 146297894

IUPAC4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid
SMILESCC(C)(C)C(C)(C)C(=O)OCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H24O6/c1-13(2,3)14(4,5)12(18)20-9-8-19-11(17)7-6-10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyAIDUCXHXHRBSDG-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.01
Rot. Bonds7

About 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid

4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid (PubChem CID 146297894) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid
PubChem CID146297894
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid
SMILESCC(C)(C)C(C)(C)C(=O)OCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H24O6/c1-13(2,3)14(4,5)12(18)20-9-8-19-11(17)7-6-10(15)16/h6-9H2,1-5H3,(H,15,16)
InChIKeyAIDUCXHXHRBSDG-UHFFFAOYSA-N
XLogP2.01
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxyethoxy]-4-oxobutanoic acid
CID 89151668
4-[2-(2,2-dimethylpentanoyloxy)ethoxy]-4-oxobutanoic acid
CID 122578414
4-[2-[2-(aminomethyl)-2,4,4-trimethylpentanoyl]oxyethoxy]-4-oxobutanoic acid
CID 134503020
4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid
CID 58715917
2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
CID 20759309
4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid
CID 156630139
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605
4-[3-(2-ethyl-2-methylheptanoyl)oxypropoxy]-4-oxobutanoic acid
CID 88551530
4-(2-bromoethoxy)-4-oxobutanoic acid
CID 3289614
4-[2-(2-tert-butyl-4-methylpent-3-enoyl)oxyethoxy]-4-oxobutanoic acid
CID 88908690
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid (CID 146297894) is 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid is CC(C)(C)C(C)(C)C(=O)OCCOC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid?
The InChIKey is AIDUCXHXHRBSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2,3)14(4,5)12(18)20-9-8-19-11(17)7-6-10(15)16/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid?
4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid is sourced from PubChem (CID 146297894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).