10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid

C11H12O3 — CID 152956774

IUPAC10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
SMILESO=C1C2CC3(C(=O)O)CC4CC1C43C2
InChIInChI=1S/C11H12O3/c12-8-5-2-10(9(13)14)4-6-1-7(8)11(6,10)3-5/h5-7H,1-4H2,(H,13,14)
InChIKeyUPTZFDGMBQGDFV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.08
Rot. Bonds1

About 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid

10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid (PubChem CID 152956774) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid.

Molecular Properties

Compound Name10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
PubChem CID152956774
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
SMILESO=C1C2CC3(C(=O)O)CC4CC1C43C2
InChIInChI=1S/C11H12O3/c12-8-5-2-10(9(13)14)4-6-1-7(8)11(6,10)3-5/h5-7H,1-4H2,(H,13,14)
InChIKeyUPTZFDGMBQGDFV-UHFFFAOYSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The IUPAC name of 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid (CID 152956774) is 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid.
What is the SMILES notation for 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The canonical SMILES for 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid is O=C1C2CC3(C(=O)O)CC4CC1C43C2.
What is the InChIKey of 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The InChIKey is UPTZFDGMBQGDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-8-5-2-10(9(13)14)4-6-1-7(8)11(6,10)3-5/h5-7H,1-4H2,(H,13,14).
What are the key properties of 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxotetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid is sourced from PubChem (CID 152956774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).