cyclohexene-1,2-dicarboxylic acid

C8H10O4 — CID 6958

IUPACcyclohexene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyUFDHBDMSHIXOKF-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.03
Rot. Bonds2

About cyclohexene-1,2-dicarboxylic acid

cyclohexene-1,2-dicarboxylic acid (PubChem CID 6958) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is cyclohexene-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecyclohexene-1,2-dicarboxylic acid
PubChem CID6958
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namecyclohexene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyUFDHBDMSHIXOKF-UHFFFAOYSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
CID 54208574
2-hydroxycyclohexene-1-carboxylic acid
CID 54725084
2-bromocyclooctene-1-carboxylic acid
CID 75300342
cycloheptene-1,2-dicarbothioic S-acid
CID 89011326
2-(2-methylpropanoyl)cyclopentene-1-carboxylic acid
CID 23588087
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
2,3,4,5-tetrahydrooxepine-6,7-dicarboxylic acid
CID 18790846
2-acetyloxycyclohexene-1-carboxylic acid
CID 175607129
(1Z)-cyclooctene-1,2,3-tricarboxylic acid
CID 121331499
2-pentan-3-yloxycarbonylcyclohexene-1-carboxylic acid
CID 175023573
2-(thiophene-2-carbonyl)cyclohexene-1-carboxylic acid
CID 130055994
2-(1,1-diphenylethyl)cyclohexene-1-carboxylic acid
CID 67746972

Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,2-dicarboxylic acid?
The IUPAC name of cyclohexene-1,2-dicarboxylic acid (CID 6958) is cyclohexene-1,2-dicarboxylic acid.
What is the SMILES notation for cyclohexene-1,2-dicarboxylic acid?
The canonical SMILES for cyclohexene-1,2-dicarboxylic acid is O=C(O)C1=C(C(=O)O)CCCC1.
What is the InChIKey of cyclohexene-1,2-dicarboxylic acid?
The InChIKey is UFDHBDMSHIXOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of cyclohexene-1,2-dicarboxylic acid?
cyclohexene-1,2-dicarboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,2-dicarboxylic acid is sourced from PubChem (CID 6958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).