4,4,6,6-tetramethyl-8-oxodecanoic acid

C14H26O3 — CID 89192992

IUPAC4,4,6,6-tetramethyl-8-oxodecanoic acid
SMILESCCC(=O)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26O3/c1-6-11(15)9-14(4,5)10-13(2,3)8-7-12(16)17/h6-10H2,1-5H3,(H,16,17)
InChIKeyVACIUGQGUJCFOK-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.66
Rot. Bonds8

About 4,4,6,6-tetramethyl-8-oxodecanoic acid

4,4,6,6-tetramethyl-8-oxodecanoic acid (PubChem CID 89192992) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-8-oxodecanoic acid.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-8-oxodecanoic acid
PubChem CID89192992
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4,4,6,6-tetramethyl-8-oxodecanoic acid
SMILESCCC(=O)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26O3/c1-6-11(15)9-14(4,5)10-13(2,3)8-7-12(16)17/h6-10H2,1-5H3,(H,16,17)
InChIKeyVACIUGQGUJCFOK-UHFFFAOYSA-N
XLogP3.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,6,6,8,8-hexamethylnonanoic acid
CID 134471659
4,4-dimethylhexanoic acid
CID 12563914
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
4,4,14,14-tetramethyl-9-oxoheptadecanedioic acid
CID 10109732
5-hydroxy-5-methyloctan-3-one
CID 87431906
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142
2-hydroxy-2-(2-oxobutyl)butanedioic acid
CID 122595284

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-8-oxodecanoic acid?
The IUPAC name of 4,4,6,6-tetramethyl-8-oxodecanoic acid (CID 89192992) is 4,4,6,6-tetramethyl-8-oxodecanoic acid.
What is the SMILES notation for 4,4,6,6-tetramethyl-8-oxodecanoic acid?
The canonical SMILES for 4,4,6,6-tetramethyl-8-oxodecanoic acid is CCC(=O)CC(C)(C)CC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4,6,6-tetramethyl-8-oxodecanoic acid?
The InChIKey is VACIUGQGUJCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-11(15)9-14(4,5)10-13(2,3)8-7-12(16)17/h6-10H2,1-5H3,(H,16,17).
What are the key properties of 4,4,6,6-tetramethyl-8-oxodecanoic acid?
4,4,6,6-tetramethyl-8-oxodecanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-8-oxodecanoic acid is sourced from PubChem (CID 89192992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).