2-cyclododecyl-2-oxoacetic acid

C14H24O3 — CID 20976833

IUPAC2-cyclododecyl-2-oxoacetic acid
SMILESO=C(O)C(=O)C1CCCCCCCCCCC1
InChIInChI=1S/C14H24O3/c15-13(14(16)17)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,16,17)
InChIKeyCHLRTMOMTGDSHL-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.56
Rot. Bonds2

About 2-cyclododecyl-2-oxoacetic acid

2-cyclododecyl-2-oxoacetic acid (PubChem CID 20976833) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-cyclododecyl-2-oxoacetic acid.

Molecular Properties

Compound Name2-cyclododecyl-2-oxoacetic acid
PubChem CID20976833
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-cyclododecyl-2-oxoacetic acid
SMILESO=C(O)C(=O)C1CCCCCCCCCCC1
InChIInChI=1S/C14H24O3/c15-13(14(16)17)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,16,17)
InChIKeyCHLRTMOMTGDSHL-UHFFFAOYSA-N
XLogP3.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 19602211
cyclopentanecarboxylic acid;indigane
CID 173230713
chloromethane;cyclohexanecarboxylic acid
CID 160928112

Frequently Asked Questions

What is the IUPAC name of 2-cyclododecyl-2-oxoacetic acid?
The IUPAC name of 2-cyclododecyl-2-oxoacetic acid (CID 20976833) is 2-cyclododecyl-2-oxoacetic acid.
What is the SMILES notation for 2-cyclododecyl-2-oxoacetic acid?
The canonical SMILES for 2-cyclododecyl-2-oxoacetic acid is O=C(O)C(=O)C1CCCCCCCCCCC1.
What is the InChIKey of 2-cyclododecyl-2-oxoacetic acid?
The InChIKey is CHLRTMOMTGDSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c15-13(14(16)17)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,16,17).
What are the key properties of 2-cyclododecyl-2-oxoacetic acid?
2-cyclododecyl-2-oxoacetic acid has a molecular weight of 240.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecyl-2-oxoacetic acid is sourced from PubChem (CID 20976833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).