2,9-dimethyldecanoic acid

C12H24O2 — CID 22251838

IUPAC2,9-dimethyldecanoic acid
SMILESCC(C)CCCCCCC(C)C(=O)O
InChIInChI=1S/C12H24O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyURCPAQGSKPWZOO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.70
Rot. Bonds8

About 2,9-dimethyldecanoic acid

2,9-dimethyldecanoic acid (PubChem CID 22251838) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,9-dimethyldecanoic acid.

Molecular Properties

Compound Name2,9-dimethyldecanoic acid
PubChem CID22251838
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,9-dimethyldecanoic acid
SMILESCC(C)CCCCCCC(C)C(=O)O
InChIInChI=1S/C12H24O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyURCPAQGSKPWZOO-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.70
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

2,11-dimethyldodecanoic acid
CID 22251841
2-methylheptadecanoic acid;16-methylheptadecanoic acid
CID 158902500
heptane;2-methylheptadecanoic acid
CID 175511035
2-methylhenicosanedioic acid
CID 21286141
2-methyloctanoic acid chloride
CID 86745562
(2R)-8-bromo-2-methyloctanoic acid
CID 163580387
2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
methanol;2-methylheptanoic acid
CID 174821979
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
2-hydroxy-17-methyloctadecanoic acid
CID 23427391
2,10-dimethyltridecanoic acid
CID 22251986

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecanoic acid?
The IUPAC name of 2,9-dimethyldecanoic acid (CID 22251838) is 2,9-dimethyldecanoic acid.
What is the SMILES notation for 2,9-dimethyldecanoic acid?
The canonical SMILES for 2,9-dimethyldecanoic acid is CC(C)CCCCCCC(C)C(=O)O.
What is the InChIKey of 2,9-dimethyldecanoic acid?
The InChIKey is URCPAQGSKPWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2,9-dimethyldecanoic acid?
2,9-dimethyldecanoic acid has a molecular weight of 200.32 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecanoic acid is sourced from PubChem (CID 22251838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).