2,3,4-trimethyldecanoic acid

C13H26O2 — CID 150709082

IUPAC2,3,4-trimethyldecanoic acid
SMILESCCCCCCC(C)C(C)C(C)C(=O)O
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10(2)11(3)12(4)13(14)15/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyJNMMCUNJTHITMS-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.95
Rot. Bonds8

About 2,3,4-trimethyldecanoic acid

2,3,4-trimethyldecanoic acid (PubChem CID 150709082) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,3,4-trimethyldecanoic acid.

Molecular Properties

Compound Name2,3,4-trimethyldecanoic acid
PubChem CID150709082
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2,3,4-trimethyldecanoic acid
SMILESCCCCCCC(C)C(C)C(C)C(=O)O
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10(2)11(3)12(4)13(14)15/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyJNMMCUNJTHITMS-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
CID 135016059
2-methyl-3-tetradecylheptadecanoic acid
CID 176900342
2-nonadecan-2-ylpropanedioic acid
CID 22179077
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
2,9,10-trimethyloctadecanoic acid
CID 14298664
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
2-methyl-3-octadecylbutanedioic acid
CID 21183584
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
heptane;2-methylheptadecanoic acid
CID 175511035
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
potassium;2-heptan-2-ylpropanedioic acid;hydride
CID 175224812
2-nonacosylpropanedioic acid
CID 19851286

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldecanoic acid?
The IUPAC name of 2,3,4-trimethyldecanoic acid (CID 150709082) is 2,3,4-trimethyldecanoic acid.
What is the SMILES notation for 2,3,4-trimethyldecanoic acid?
The canonical SMILES for 2,3,4-trimethyldecanoic acid is CCCCCCC(C)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3,4-trimethyldecanoic acid?
The InChIKey is JNMMCUNJTHITMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-6-7-8-9-10(2)11(3)12(4)13(14)15/h10-12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2,3,4-trimethyldecanoic acid?
2,3,4-trimethyldecanoic acid has a molecular weight of 214.35 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldecanoic acid is sourced from PubChem (CID 150709082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).