2,4-dimethyl-2,4-dipropylpentanedioic acid

C13H24O4 — CID 19091009

IUPAC2,4-dimethyl-2,4-dipropylpentanedioic acid
SMILESCCCC(C)(CC(C)(CCC)C(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-5-7-12(3,10(14)15)9-13(4,8-6-2)11(16)17/h5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyIOSYSVMUQMTYPM-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.16
Rot. Bonds8

About 2,4-dimethyl-2,4-dipropylpentanedioic acid

2,4-dimethyl-2,4-dipropylpentanedioic acid (PubChem CID 19091009) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,4-dimethyl-2,4-dipropylpentanedioic acid.

Molecular Properties

Compound Name2,4-dimethyl-2,4-dipropylpentanedioic acid
PubChem CID19091009
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,4-dimethyl-2,4-dipropylpentanedioic acid
SMILESCCCC(C)(CC(C)(CCC)C(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-5-7-12(3,10(14)15)9-13(4,8-6-2)11(16)17/h5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyIOSYSVMUQMTYPM-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(-)-2-propyloctanoic acid
CID 208925
Anteisopentadecanoic Acid
CID 21672
4-Methylnonanoic acid
CID 62003
8-Methyldecanoic acid
CID 21813
4-Methyldecanoic acid
CID 459849
2-Butyloctanoic acid
CID 33970
1,1-Cyclopentanediacetic acid
CID 85558
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
CID 21491
Heptanoic acid, 2-ethyl-
CID 18648
Camphoric acid, (-)-
CID 219463
Camphoric Acid
CID 101807
Pentane-1,3,5-tricarboxylic acid
CID 96220

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,4-dipropylpentanedioic acid?
The IUPAC name of 2,4-dimethyl-2,4-dipropylpentanedioic acid (CID 19091009) is 2,4-dimethyl-2,4-dipropylpentanedioic acid.
What is the SMILES notation for 2,4-dimethyl-2,4-dipropylpentanedioic acid?
The canonical SMILES for 2,4-dimethyl-2,4-dipropylpentanedioic acid is CCCC(C)(CC(C)(CCC)C(=O)O)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2,4-dipropylpentanedioic acid?
The InChIKey is IOSYSVMUQMTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-7-12(3,10(14)15)9-13(4,8-6-2)11(16)17/h5-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2,4-dimethyl-2,4-dipropylpentanedioic acid?
2,4-dimethyl-2,4-dipropylpentanedioic acid has a molecular weight of 244.33 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,4-dipropylpentanedioic acid is sourced from PubChem (CID 19091009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).