cyclohex-3-ene-1,2,3-tricarboxylic acid

C9H10O6 — CID 141047930

IUPACcyclohex-3-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=CCCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h2,5-6H,1,3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyJMAGCSPYLLCALE-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.19
Rot. Bonds3

About cyclohex-3-ene-1,2,3-tricarboxylic acid

cyclohex-3-ene-1,2,3-tricarboxylic acid (PubChem CID 141047930) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is cyclohex-3-ene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namecyclohex-3-ene-1,2,3-tricarboxylic acid
PubChem CID141047930
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namecyclohex-3-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=CCCC(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h2,5-6H,1,3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyJMAGCSPYLLCALE-UHFFFAOYSA-N
XLogP0.19
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002
Cyclohex-2-ene-1,2-dicarboxylic acid
CID 15051956
2-Cyclopentene-1,2-dicarboxylic acid
CID 54433583
Cyclohex-3-ene-1,3-dicarboxylic acid
CID 22394959
1,2,3,4-Butenetetracarboxylicacid
CID 87247031
Cyclohex-1-ene-1,4-dicarboxylic acid
CID 22723501
5-Fluoro-6-(fluoromethyl)cyclohexa-1,3-diene-1,2,4,5-tetracarboxylic acid
CID 141314382
6-Fluoro-1,2-dimethylcyclohex-3-ene-1,3-dicarboxylic acid
CID 149972877
5-(Carboxymethyl)cyclopentene-1-carboxylic acid
CID 90694500
5-Butylcyclohexa-2,4-diene-1,2-dicarboxylic acid
CID 91056629
4,7-Dihydro-4,5-indandicarboxylic acid
CID 129805479
Tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylic acid
CID 139246430

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-ene-1,2,3-tricarboxylic acid?
The IUPAC name of cyclohex-3-ene-1,2,3-tricarboxylic acid (CID 141047930) is cyclohex-3-ene-1,2,3-tricarboxylic acid.
What is the SMILES notation for cyclohex-3-ene-1,2,3-tricarboxylic acid?
The canonical SMILES for cyclohex-3-ene-1,2,3-tricarboxylic acid is O=C(O)C1=CCCC(C(=O)O)C1C(=O)O.
What is the InChIKey of cyclohex-3-ene-1,2,3-tricarboxylic acid?
The InChIKey is JMAGCSPYLLCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h2,5-6H,1,3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of cyclohex-3-ene-1,2,3-tricarboxylic acid?
cyclohex-3-ene-1,2,3-tricarboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 141047930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).