2,2,4-trimethyl-4-propylpentanedioic acid

C11H20O4 — CID 19091003

IUPAC2,2,4-trimethyl-4-propylpentanedioic acid
SMILESCCCC(C)(CC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-6-11(4,9(14)15)7-10(2,3)8(12)13/h5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyFAAQCYFODJEXBA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.38
Rot. Bonds6

About 2,2,4-trimethyl-4-propylpentanedioic acid

2,2,4-trimethyl-4-propylpentanedioic acid (PubChem CID 19091003) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-propylpentanedioic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-4-propylpentanedioic acid
PubChem CID19091003
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2,4-trimethyl-4-propylpentanedioic acid
SMILESCCCC(C)(CC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-6-11(4,9(14)15)7-10(2,3)8(12)13/h5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyFAAQCYFODJEXBA-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
CID 114495188
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
CID 88566200
1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylic acid
CID 58114727
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecamethyltritriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecacarboxylic acid
CID 159235400
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-docosamethyltritetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosacarboxylic acid
CID 118067410
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-butyl-2-methylhexanoic acid
CID 15930803
2-methyl-2-(2,2,2-trifluoroethyl)hexanoic acid
CID 143517262
4-hydroxy-2-methyl-2-propylhexanoic acid
CID 79425025

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-propylpentanedioic acid?
The IUPAC name of 2,2,4-trimethyl-4-propylpentanedioic acid (CID 19091003) is 2,2,4-trimethyl-4-propylpentanedioic acid.
What is the SMILES notation for 2,2,4-trimethyl-4-propylpentanedioic acid?
The canonical SMILES for 2,2,4-trimethyl-4-propylpentanedioic acid is CCCC(C)(CC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2,2,4-trimethyl-4-propylpentanedioic acid?
The InChIKey is FAAQCYFODJEXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-6-11(4,9(14)15)7-10(2,3)8(12)13/h5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2,2,4-trimethyl-4-propylpentanedioic acid?
2,2,4-trimethyl-4-propylpentanedioic acid has a molecular weight of 216.28 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-propylpentanedioic acid is sourced from PubChem (CID 19091003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).