2-methyl-7-oxodecanoic acid

C11H20O3 — CID 121216552

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

About 2-methyl-7-oxodecanoic acid

2-methyl-7-oxodecanoic acid (PubChem CID 121216552) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-7-oxodecanoic acid.

Molecular Properties

Compound Name2-methyl-7-oxodecanoic acid
PubChem CID121216552
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methyl-7-oxodecanoic acid
SMILESCCCC(=O)CCCCC(C)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-6-10(12)8-5-4-7-9(2)11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyZUQOFRDAWCOSAF-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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-oxodecanoic acid
CID 22217196
methanol;2-methylheptanoic acid
CID 174821979
heptane;2-methylheptadecanoic acid
CID 175511035
2-methylhenicosanedioic acid
CID 21286141
2-methyloctanoic acid chloride
CID 86745562
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
tridecane-4,10-dione
CID 158766358
2-methylheptadecanoic acid;16-methylheptadecanoic acid
CID 158902500
calcium;hydride;2-methylhexanoic acid
CID 173227921
2,11-dimethylhexadecanoic acid
CID 22251936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxodecanoic acid?
The IUPAC name of 2-methyl-7-oxodecanoic acid (CID 121216552) is 2-methyl-7-oxodecanoic acid.
What is the SMILES notation for 2-methyl-7-oxodecanoic acid?
The canonical SMILES for 2-methyl-7-oxodecanoic acid is CCCC(=O)CCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-7-oxodecanoic acid?
The InChIKey is ZUQOFRDAWCOSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-6-10(12)8-5-4-7-9(2)11(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-7-oxodecanoic acid?
2-methyl-7-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-7-oxodecanoic acid is sourced from PubChem (CID 121216552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).