2-methyl-6-oxodecanoic acid

C11H20O3 — CID 22217196

IUPAC2-methyl-6-oxodecanoic acid
SMILESCCCCC(=O)CCCC(C)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-7-10(12)8-5-6-9(2)11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyZLRJLIVXSDKZLU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds8

About 2-methyl-6-oxodecanoic acid

2-methyl-6-oxodecanoic acid (PubChem CID 22217196) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-6-oxodecanoic acid.

Molecular Properties

Compound Name2-methyl-6-oxodecanoic acid
PubChem CID22217196
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methyl-6-oxodecanoic acid
SMILESCCCCC(=O)CCCC(C)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-7-10(12)8-5-6-9(2)11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyZLRJLIVXSDKZLU-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-oxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-oxodecanoic acid
CID 121216552
heptane;2-methylheptadecanoic acid
CID 175511035
calcium;hydride;2-methylhexanoic acid
CID 173227921
methanol;2-methylheptanoic acid
CID 174821979
2-methyloctanoic acid chloride
CID 86745562
2-methyl-5-(pentanoylamino)pentanoic acid
CID 104682493
2,11-dimethylhexadecanoic acid
CID 22251936
2,9,10-trimethyloctadecanoic acid
CID 14298664
2-methylundecan-6-one
CID 86122551
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233
(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxodecanoic acid?
The IUPAC name of 2-methyl-6-oxodecanoic acid (CID 22217196) is 2-methyl-6-oxodecanoic acid.
What is the SMILES notation for 2-methyl-6-oxodecanoic acid?
The canonical SMILES for 2-methyl-6-oxodecanoic acid is CCCCC(=O)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-oxodecanoic acid?
The InChIKey is ZLRJLIVXSDKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-7-10(12)8-5-6-9(2)11(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-6-oxodecanoic acid?
2-methyl-6-oxodecanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxodecanoic acid is sourced from PubChem (CID 22217196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).