2-oxocyclodecane-1-carboxylic acid

C11H18O3 — CID 123244832

IUPAC2-oxocyclodecane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCCCC1=O
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9(10)11(13)14/h9H,1-8H2,(H,13,14)
InChIKeyLNPCYPYNMGCKPB-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.39
Rot. Bonds1

About 2-oxocyclodecane-1-carboxylic acid

2-oxocyclodecane-1-carboxylic acid (PubChem CID 123244832) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-oxocyclodecane-1-carboxylic acid.

Molecular Properties

Compound Name2-oxocyclodecane-1-carboxylic acid
PubChem CID123244832
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-oxocyclodecane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCCCC1=O
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9(10)11(13)14/h9H,1-8H2,(H,13,14)
InChIKeyLNPCYPYNMGCKPB-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxocyclodecane-1-carboxylic acid?
The IUPAC name of 2-oxocyclodecane-1-carboxylic acid (CID 123244832) is 2-oxocyclodecane-1-carboxylic acid.
What is the SMILES notation for 2-oxocyclodecane-1-carboxylic acid?
The canonical SMILES for 2-oxocyclodecane-1-carboxylic acid is O=C(O)C1CCCCCCCCC1=O.
What is the InChIKey of 2-oxocyclodecane-1-carboxylic acid?
The InChIKey is LNPCYPYNMGCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9(10)11(13)14/h9H,1-8H2,(H,13,14).
What are the key properties of 2-oxocyclodecane-1-carboxylic acid?
2-oxocyclodecane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocyclodecane-1-carboxylic acid is sourced from PubChem (CID 123244832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).