cycloundecene-1-carboxylic acid

C12H20O2 — CID 4060049

IUPACcycloundecene-1-carboxylic acid
SMILESO=C(O)C1=CCCCCCCCCC1
InChIInChI=1S/C12H20O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h9H,1-8,10H2,(H,13,14)
InChIKeyVIOUXKOATDSRRK-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.52
Rot. Bonds1

About cycloundecene-1-carboxylic acid

cycloundecene-1-carboxylic acid (PubChem CID 4060049) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cycloundecene-1-carboxylic acid.

Molecular Properties

Compound Namecycloundecene-1-carboxylic acid
PubChem CID4060049
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecycloundecene-1-carboxylic acid
SMILESO=C(O)C1=CCCCCCCCCC1
InChIInChI=1S/C12H20O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h9H,1-8,10H2,(H,13,14)
InChIKeyVIOUXKOATDSRRK-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloundecene-1-carboxylic acid?
The IUPAC name of cycloundecene-1-carboxylic acid (CID 4060049) is cycloundecene-1-carboxylic acid.
What is the SMILES notation for cycloundecene-1-carboxylic acid?
The canonical SMILES for cycloundecene-1-carboxylic acid is O=C(O)C1=CCCCCCCCCC1.
What is the InChIKey of cycloundecene-1-carboxylic acid?
The InChIKey is VIOUXKOATDSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h9H,1-8,10H2,(H,13,14).
What are the key properties of cycloundecene-1-carboxylic acid?
cycloundecene-1-carboxylic acid has a molecular weight of 196.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundecene-1-carboxylic acid is sourced from PubChem (CID 4060049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).