8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid

C9H10O3 — CID 175836650

IUPAC8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C(=O)C1C1CC21
InChIInChI=1S/C9H10O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-7H,1-2H2,(H,11,12)
InChIKeyVKLDXVIQSMCKLK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds1

About 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid

8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid (PubChem CID 175836650) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid.

Molecular Properties

Compound Name8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid
PubChem CID175836650
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2C(=O)C1C1CC21
InChIInChI=1S/C9H10O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-7H,1-2H2,(H,11,12)
InChIKeyVKLDXVIQSMCKLK-UHFFFAOYSA-N
XLogP0.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The IUPAC name of 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid (CID 175836650) is 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid.
What is the SMILES notation for 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The canonical SMILES for 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid is O=C(O)C1CC2C(=O)C1C1CC21.
What is the InChIKey of 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid?
The InChIKey is VKLDXVIQSMCKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-5-2-6(9(11)12)7(8)4-1-3(4)5/h3-7H,1-2H2,(H,11,12).
What are the key properties of 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid?
8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxotricyclo[3.2.1.02,4]octane-6-carboxylic acid is sourced from PubChem (CID 175836650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).