2-(2,4,6-trimethylnonyl)butanedioic acid

C16H30O4 — CID 89474289

IUPAC2-(2,4,6-trimethylnonyl)butanedioic acid
SMILESCCCC(C)CC(C)CC(C)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-5-6-11(2)7-12(3)8-13(4)9-14(16(19)20)10-15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHDVAGVNHNNXZRM-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.04
Rot. Bonds11

About 2-(2,4,6-trimethylnonyl)butanedioic acid

2-(2,4,6-trimethylnonyl)butanedioic acid (PubChem CID 89474289) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(2,4,6-trimethylnonyl)butanedioic acid.

Molecular Properties

Compound Name2-(2,4,6-trimethylnonyl)butanedioic acid
PubChem CID89474289
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-(2,4,6-trimethylnonyl)butanedioic acid
SMILESCCCC(C)CC(C)CC(C)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C16H30O4/c1-5-6-11(2)7-12(3)8-13(4)9-14(16(19)20)10-15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyHDVAGVNHNNXZRM-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
(2S)-2-propylbutanedioic acid
CID 12648185
(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]heptanoic acid
CID 21031299
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
CID 174968550
butane-1,2,3,4-tetracarboxylic acid;tetrakis(2,4-dimethylheptanamide)
CID 173380506
2-benzyl-4-methylheptanoic acid
CID 62266775
2-(7-methylpentadecyl)butanedioic acid
CID 141435269
(2S)-2-ethylbutanedioic acid
CID 6997245
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
hexane-1,2,5-tricarboxylic acid
CID 14251275

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylnonyl)butanedioic acid?
The IUPAC name of 2-(2,4,6-trimethylnonyl)butanedioic acid (CID 89474289) is 2-(2,4,6-trimethylnonyl)butanedioic acid.
What is the SMILES notation for 2-(2,4,6-trimethylnonyl)butanedioic acid?
The canonical SMILES for 2-(2,4,6-trimethylnonyl)butanedioic acid is CCCC(C)CC(C)CC(C)CC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2,4,6-trimethylnonyl)butanedioic acid?
The InChIKey is HDVAGVNHNNXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-5-6-11(2)7-12(3)8-13(4)9-14(16(19)20)10-15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,4,6-trimethylnonyl)butanedioic acid?
2-(2,4,6-trimethylnonyl)butanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylnonyl)butanedioic acid is sourced from PubChem (CID 89474289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).