5-methyl-7-oxodecanoic acid

C11H20O3 — CID 174954178

IUPAC5-methyl-7-oxodecanoic acid
SMILESCCCC(=O)CC(C)CCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-10(12)8-9(2)6-4-7-11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyBKDLWHXPYGEZPC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds8

About 5-methyl-7-oxodecanoic acid

5-methyl-7-oxodecanoic acid (PubChem CID 174954178) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methyl-7-oxodecanoic acid.

Molecular Properties

Compound Name5-methyl-7-oxodecanoic acid
PubChem CID174954178
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-methyl-7-oxodecanoic acid
SMILESCCCC(=O)CC(C)CCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-10(12)8-9(2)6-4-7-11(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyBKDLWHXPYGEZPC-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

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Related Compounds

5-methyltridecan-7-one
CID 71413449
12-methylhenicosan-10-one
CID 71761778
3-methylicosanedioic acid
CID 87117627
(3R)-3-methyltetradecanedioic acid
CID 142577447
6,10-dimethylpentadecan-8-one
CID 150688801
(10R)-10-methylheptadecanoic acid
CID 124527302
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
(11S)-11-methylhexadecanoic acid
CID 162980930

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxodecanoic acid?
The IUPAC name of 5-methyl-7-oxodecanoic acid (CID 174954178) is 5-methyl-7-oxodecanoic acid.
What is the SMILES notation for 5-methyl-7-oxodecanoic acid?
The canonical SMILES for 5-methyl-7-oxodecanoic acid is CCCC(=O)CC(C)CCCC(=O)O.
What is the InChIKey of 5-methyl-7-oxodecanoic acid?
The InChIKey is BKDLWHXPYGEZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-10(12)8-9(2)6-4-7-11(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-7-oxodecanoic acid?
5-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 5-methyl-7-oxodecanoic acid is sourced from PubChem (CID 174954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).