2-methyl-2-propylnonanedioic acid

C13H24O4 — CID 160508376

IUPAC2-methyl-2-propylnonanedioic acid
SMILESCCCC(C)(CCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-3-9-13(2,12(16)17)10-7-5-4-6-8-11(14)15/h3-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQSSIBNVNGQDFFL-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.30
Rot. Bonds10

About 2-methyl-2-propylnonanedioic acid

2-methyl-2-propylnonanedioic acid (PubChem CID 160508376) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-2-propylnonanedioic acid.

Molecular Properties

Compound Name2-methyl-2-propylnonanedioic acid
PubChem CID160508376
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-methyl-2-propylnonanedioic acid
SMILESCCCC(C)(CCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24O4/c1-3-9-13(2,12(16)17)10-7-5-4-6-8-11(14)15/h3-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQSSIBNVNGQDFFL-UHFFFAOYSA-N
XLogP3.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-2-methyldodecanedioic acid
CID 90370691
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-(2-ethylbutyl)-2-methyldodecanedioic acid
CID 87569897
2-butyl-2-methylhexanoic acid
CID 15930803
2-methyl-2-propyldec-9-enoic acid
CID 151821272
(Z)-2-methyl-2-propyloctadec-9-enoic acid
CID 160795376
2-(2-butyloctyl)-2-methyldecanedioic acid
CID 87569351
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-ethyl-2-propylnonanedioic acid
CID 162230582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylnonanedioic acid?
The IUPAC name of 2-methyl-2-propylnonanedioic acid (CID 160508376) is 2-methyl-2-propylnonanedioic acid.
What is the SMILES notation for 2-methyl-2-propylnonanedioic acid?
The canonical SMILES for 2-methyl-2-propylnonanedioic acid is CCCC(C)(CCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-propylnonanedioic acid?
The InChIKey is QSSIBNVNGQDFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-9-13(2,12(16)17)10-7-5-4-6-8-11(14)15/h3-10H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-propylnonanedioic acid?
2-methyl-2-propylnonanedioic acid has a molecular weight of 244.33 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylnonanedioic acid is sourced from PubChem (CID 160508376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).