tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid

C11H12O2 — CID 118632672

IUPACtricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
SMILESO=C(O)C1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H12O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2,(H,12,13)
InChIKeyGSGDBVFFMYVAIM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds1

About tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid

tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid (PubChem CID 118632672) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
PubChem CID118632672
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Nametricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
SMILESO=C(O)C1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H12O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2,(H,12,13)
InChIKeyGSGDBVFFMYVAIM-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromotricyclo[5.2.1.02,6]deca-3,8-diene
CID 68937024
(3S)-3-chlorocyclobutene-1-carboxylic acid
CID 134533701
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
3a,4a,8a,8b-tetrahydro-3H-cyclopenta[b][1]benzofuran-2-carboxylic acid
CID 90695175
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(3R,4S,5R)-3-deuterio-3,4,5-trihydroxycyclohexene-1-carboxylic acid
CID 59869332
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
(1S,3R,5R,7S,8E,10S,11R,13S,14S,15S)-3,5,7,14-tetrahydroxy-13-methyltricyclo[8.7.0.011,15]heptadeca-8,16-diene-8-carboxylic acid
CID 101257668
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;silver
CID 58884336
4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxylic acid
CID 141049820
4-iodotricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475454

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid (CID 118632672) is tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid is O=C(O)C1=CC2C3C=CC(C3)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
The InChIKey is GSGDBVFFMYVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2,(H,12,13).
What are the key properties of tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid?
tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid is sourced from PubChem (CID 118632672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).