tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid

C12H12O4 — CID 18683437

IUPACtricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid
SMILESO=C(O)C1=CC2C3CC(C=C3C(=O)O)C2C1
InChIInChI=1S/C12H12O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h2,4-5,7-9H,1,3H2,(H,13,14)(H,15,16)
InChIKeyOHBKQYDZAJJZNC-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.29
Rot. Bonds2

About tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid

tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid (PubChem CID 18683437) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid
PubChem CID18683437
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nametricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid
SMILESO=C(O)C1=CC2C3CC(C=C3C(=O)O)C2C1
InChIInChI=1S/C12H12O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h2,4-5,7-9H,1,3H2,(H,13,14)(H,15,16)
InChIKeyOHBKQYDZAJJZNC-UHFFFAOYSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid?
The IUPAC name of tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid (CID 18683437) is tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid is O=C(O)C1=CC2C3CC(C=C3C(=O)O)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid?
The InChIKey is OHBKQYDZAJJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-11(14)6-3-7-5-1-9(8(7)4-6)10(2-5)12(15)16/h2,4-5,7-9H,1,3H2,(H,13,14)(H,15,16).
What are the key properties of tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid?
tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-4,8-diene-4,8-dicarboxylic acid is sourced from PubChem (CID 18683437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).