2-(8-methyl-2-propylnonyl)propanedioic acid

C16H30O4 — CID 18769237

IUPAC2-(8-methyl-2-propylnonyl)propanedioic acid
SMILESCCCC(CCCCCC(C)C)CC(C(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-4-8-13(10-7-5-6-9-12(2)3)11-14(15(17)18)16(19)20/h12-14H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWWCUTSLZEIYGJL-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.18
Rot. Bonds12

About 2-(8-methyl-2-propylnonyl)propanedioic acid

2-(8-methyl-2-propylnonyl)propanedioic acid (PubChem CID 18769237) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(8-methyl-2-propylnonyl)propanedioic acid.

Molecular Properties

Compound Name2-(8-methyl-2-propylnonyl)propanedioic acid
PubChem CID18769237
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-(8-methyl-2-propylnonyl)propanedioic acid
SMILESCCCC(CCCCCC(C)C)CC(C(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-4-8-13(10-7-5-6-9-12(2)3)11-14(15(17)18)16(19)20/h12-14H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWWCUTSLZEIYGJL-UHFFFAOYSA-N
XLogP4.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-(2-propyltetradecyl)propanedioic acid
CID 174968853
2-(2-butyltetradecyl)propanedioic acid
CID 174968707
sodium;2-(2-heptyltetradecyl)propanedioic acid;hydride
CID 175226283
magnesium;hydride;2-(2-pentyltetradecyl)propanedioic acid
CID 174967520
calcium;2-(2-butyldodecyl)propanedioic acid;hydride
CID 174967651
4,20-dimethyl-2-(2-propylhexyl)henicosanoic acid
CID 142716367
4,13-dimethyl-2-(2-propylhexyl)tetradecanoic acid
CID 142716327
2-(2-butyloctyl)-12-methyltridecanoic acid
CID 24947832
2-methyl-10-(2-propylheptyl)undecanedioic acid
CID 87578743
2,9-dimethyldecanoic acid
CID 22251838
2,11-dimethyldodecanoic acid
CID 22251841
10-ethyl-2-methyltridecane
CID 173195663

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-propylnonyl)propanedioic acid?
The IUPAC name of 2-(8-methyl-2-propylnonyl)propanedioic acid (CID 18769237) is 2-(8-methyl-2-propylnonyl)propanedioic acid.
What is the SMILES notation for 2-(8-methyl-2-propylnonyl)propanedioic acid?
The canonical SMILES for 2-(8-methyl-2-propylnonyl)propanedioic acid is CCCC(CCCCCC(C)C)CC(C(=O)O)C(=O)O.
What is the InChIKey of 2-(8-methyl-2-propylnonyl)propanedioic acid?
The InChIKey is WWCUTSLZEIYGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-4-8-13(10-7-5-6-9-12(2)3)11-14(15(17)18)16(19)20/h12-14H,4-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(8-methyl-2-propylnonyl)propanedioic acid?
2-(8-methyl-2-propylnonyl)propanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 4.18, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-propylnonyl)propanedioic acid is sourced from PubChem (CID 18769237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).