2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C13H24O4 — CID 20627288

IUPAC2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H24O4/c1-11(2,3)17-10(16)13(6,7)8-12(4,5)9(14)15/h8H2,1-7H3,(H,14,15)
InChIKeyGTRYTMMBMPYJBM-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.86
Rot. Bonds4

About 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 20627288) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID20627288
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C13H24O4/c1-11(2,3)17-10(16)13(6,7)8-12(4,5)9(14)15/h8H2,1-7H3,(H,14,15)
InChIKeyGTRYTMMBMPYJBM-UHFFFAOYSA-N
XLogP2.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 20627288) is 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is GTRYTMMBMPYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-11(2,3)17-10(16)13(6,7)8-12(4,5)9(14)15/h8H2,1-7H3,(H,14,15).
What are the key properties of 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 20627288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).