4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid

C12H22O4 — CID 156630139

IUPAC4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid
SMILESCC(C)(C)C(C)(C)COC(=O)CCC(=O)O
InChIInChI=1S/C12H22O4/c1-11(2,3)12(4,5)8-16-10(15)7-6-9(13)14/h6-8H2,1-5H3,(H,13,14)
InChIKeyMJTZOBCFOCJRCO-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.47
Rot. Bonds5

About 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid

4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid (PubChem CID 156630139) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid
PubChem CID156630139
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid
SMILESCC(C)(C)C(C)(C)COC(=O)CCC(=O)O
InChIInChI=1S/C12H22O4/c1-11(2,3)12(4,5)8-16-10(15)7-6-9(13)14/h6-8H2,1-5H3,(H,13,14)
InChIKeyMJTZOBCFOCJRCO-UHFFFAOYSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid
CID 146297894
4-(2-aminopropan-2-yloxy)-4-oxobutanoic acid
CID 174828482
2,2-bis[(4-chloro-4-oxobutanoyl)oxymethyl]butyl 4-chloro-4-oxobutanoate;4-chloro-4-oxobutanoic acid
CID 175337125
6-(2,2-dimethylpropoxy)-6-oxohexanoic acid;ethene
CID 175955666
4-oxo-4-[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentoxy]butanoic acid
CID 57044388
4-[2-(2-tert-butyl-2,4,4-trimethylpentanoyl)oxyethoxy]-4-oxobutanoic acid
CID 89151668
sodium;4-ethoxy-4-oxobutanoic acid;hydride
CID 173021123
4-oxo-4-(2,2,4,6,6-pentamethylheptan-4-yloxy)butanoic acid
CID 172815297
4-[2,2-dimethyl-3-(2-methylpropanoyloxy)propoxy]-4-oxobutanoic acid;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne
CID 90973916
butanedioic acid;bis(4-O-tert-butyl 1-O-[3-(chloromethoxycarbonyloxy)-2,2-dimethylpropyl] butanedioate)
CID 175108685
4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid?
The IUPAC name of 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid (CID 156630139) is 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid?
The canonical SMILES for 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid is CC(C)(C)C(C)(C)COC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid?
The InChIKey is MJTZOBCFOCJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(2,3)12(4,5)8-16-10(15)7-6-9(13)14/h6-8H2,1-5H3,(H,13,14).
What are the key properties of 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid?
4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2,2,3,3-tetramethylbutoxy)butanoic acid is sourced from PubChem (CID 156630139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).