1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid

C12H12O4 — CID 101162361

IUPAC1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid
SMILESCC12C=C(C(=O)O)C3C(C(C(=O)O)=C1)C32C
InChIInChI=1S/C12H12O4/c1-11-3-5(9(13)14)7-8(12(7,11)2)6(4-11)10(15)16/h3-4,7-8H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWASYLBWLMICKPO-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.29
Rot. Bonds2

About 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid

1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid (PubChem CID 101162361) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid.

Molecular Properties

Compound Name1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid
PubChem CID101162361
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid
SMILESCC12C=C(C(=O)O)C3C(C(C(=O)O)=C1)C32C
InChIInChI=1S/C12H12O4/c1-11-3-5(9(13)14)7-8(12(7,11)2)6(4-11)10(15)16/h3-4,7-8H,1-2H3,(H,13,14)(H,15,16)
InChIKeyWASYLBWLMICKPO-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

Analyze 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-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

5,5,6-triaminocyclohexa-1,3-diene-1-carboxylic acid
CID 141270377
6-hydroxy-5-methyl-3,5-dinitrocyclohexa-1,3-diene-1-carboxylic acid
CID 87130256
2-methoxy-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 158246523
2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylic acid
CID 67086722
2-methylcyclohexa-3,5-diene-1,1,3-tricarboxylic acid
CID 151386105
1-hydroxy-2-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174332346
5-chloro-4-hydroxy-5,6-dimethylcyclohexa-1,3-diene-1-carboxylic acid
CID 141006599
dimethyl (1S,6R)-7-methyl-7-(1-methylcycloprop-2-en-1-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene-2,5-dicarboxylate
CID 101162357
1-methyl-2-(propan-2-ylamino)cyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174724307
spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]hept-2-ene]-2'-carboxylic acid
CID 14381790
(2S,5R,7S)-tricyclo[3.3.1.02,7]non-3-ene-1,3-dicarboxylic acid
CID 76763873
2-(cyclopropylmethyl)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 150331612

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid?
The IUPAC name of 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid (CID 101162361) is 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid.
What is the SMILES notation for 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid?
The canonical SMILES for 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid is CC12C=C(C(=O)O)C3C(C(C(=O)O)=C1)C32C.
What is the InChIKey of 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid?
The InChIKey is WASYLBWLMICKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-11-3-5(9(13)14)7-8(12(7,11)2)6(4-11)10(15)16/h3-4,7-8H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid?
1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-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 1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxylic acid is sourced from PubChem (CID 101162361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).