9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid

C12H14O5 — CID 577275

IUPAC9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1C2C=CC3CC(O)C(C1C(=O)O)C32
InChIInChI=1S/C12H14O5/c13-6-3-4-1-2-5-7(4)9(6)10(12(16)17)8(5)11(14)15/h1-2,4-10,13H,3H2,(H,14,15)(H,16,17)
InChIKeyTUIJFFVEYZVFNO-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.20
Rot. Bonds2

About 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid

9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid (PubChem CID 577275) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid
PubChem CID577275
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1C2C=CC3CC(O)C(C1C(=O)O)C32
InChIInChI=1S/C12H14O5/c13-6-3-4-1-2-5-7(4)9(6)10(12(16)17)8(5)11(14)15/h1-2,4-10,13H,3H2,(H,14,15)(H,16,17)
InChIKeyTUIJFFVEYZVFNO-UHFFFAOYSA-N
XLogP0.20
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
CID 14059050
(1S,2R,5R,6R,7S)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
CID 162990648
dimethyl (1R,2R,3R,4S)-7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 51020823
(1R,2R,5R,6R,7R)-5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
CID 14059051
Dimethyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 83853917
7-Hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18365824
7-Hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 20677737
10-Hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20677739
1-(4-Carboxy-2-hydroxybutyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 70017394
7-Hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 70213281
methyl (3aR,4S,5S,6aR)-4-(8-hydroxyoct-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-carboxylate
CID 70526541
(1S,2S,3S,4R)-3-(carboxymethyl)-4-hydroxy-2-(8-hydroxyoct-1-enyl)cyclopentane-1-carboxylic acid
CID 70584245

Frequently Asked Questions

What is the IUPAC name of 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid?
The IUPAC name of 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid (CID 577275) is 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid is O=C(O)C1C2C=CC3CC(O)C(C1C(=O)O)C32.
What is the InChIKey of 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid?
The InChIKey is TUIJFFVEYZVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-6-3-4-1-2-5-7(4)9(6)10(12(16)17)8(5)11(14)15/h1-2,4-10,13H,3H2,(H,14,15)(H,16,17).
What are the key properties of 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid?
9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxytricyclo[5.2.1.04,10]dec-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 577275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).