bicyclo[4.3.1]dec-3-ene-8-carboxylic acid

C11H16O2 — CID 123500272

IUPACbicyclo[4.3.1]dec-3-ene-8-carboxylic acid
SMILESO=C(O)C1CC2CC=CCC(C2)C1
InChIInChI=1S/C11H16O2/c12-11(13)10-6-8-3-1-2-4-9(5-8)7-10/h1-2,8-10H,3-7H2,(H,12,13)
InChIKeyOTQPKOOSWKKHFH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds1

About bicyclo[4.3.1]dec-3-ene-8-carboxylic acid

bicyclo[4.3.1]dec-3-ene-8-carboxylic acid (PubChem CID 123500272) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is bicyclo[4.3.1]dec-3-ene-8-carboxylic acid.

Molecular Properties

Compound Namebicyclo[4.3.1]dec-3-ene-8-carboxylic acid
PubChem CID123500272
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namebicyclo[4.3.1]dec-3-ene-8-carboxylic acid
SMILESO=C(O)C1CC2CC=CCC(C2)C1
InChIInChI=1S/C11H16O2/c12-11(13)10-6-8-3-1-2-4-9(5-8)7-10/h1-2,8-10H,3-7H2,(H,12,13)
InChIKeyOTQPKOOSWKKHFH-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.3.1]dec-3-ene-8-carboxylic acid?
The IUPAC name of bicyclo[4.3.1]dec-3-ene-8-carboxylic acid (CID 123500272) is bicyclo[4.3.1]dec-3-ene-8-carboxylic acid.
What is the SMILES notation for bicyclo[4.3.1]dec-3-ene-8-carboxylic acid?
The canonical SMILES for bicyclo[4.3.1]dec-3-ene-8-carboxylic acid is O=C(O)C1CC2CC=CCC(C2)C1.
What is the InChIKey of bicyclo[4.3.1]dec-3-ene-8-carboxylic acid?
The InChIKey is OTQPKOOSWKKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(13)10-6-8-3-1-2-4-9(5-8)7-10/h1-2,8-10H,3-7H2,(H,12,13).
What are the key properties of bicyclo[4.3.1]dec-3-ene-8-carboxylic acid?
bicyclo[4.3.1]dec-3-ene-8-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.3.1]dec-3-ene-8-carboxylic acid is sourced from PubChem (CID 123500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).