4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid

C10H12O4 — CID 142722064

IUPAC4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid
SMILESC=CC1C=CC(C(=O)O)(C(=O)O)CC1
InChIInChI=1S/C10H12O4/c1-2-7-3-5-10(6-4-7,8(11)12)9(13)14/h2-3,5,7H,1,4,6H2,(H,11,12)(H,13,14)
InChIKeyLGJSORBEHVBDKR-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.29
Rot. Bonds3

About 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid

4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid (PubChem CID 142722064) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid.

Molecular Properties

Compound Name4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid
PubChem CID142722064
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid
SMILESC=CC1C=CC(C(=O)O)(C(=O)O)CC1
InChIInChI=1S/C10H12O4/c1-2-7-3-5-10(6-4-7,8(11)12)9(13)14/h2-3,5,7H,1,4,6H2,(H,11,12)(H,13,14)
InChIKeyLGJSORBEHVBDKR-UHFFFAOYSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-[4,4-bis(prop-2-enyl)cyclohexyl]cyclohexane-1-carboxylic acid
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3-(prop-2-enylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
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4-chloro-1-methylcyclohex-2-ene-1-carboxylic acid
CID 12625643
1-ethenyl-3-hydroxycyclopentane-1-carboxylic acid
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3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid?
The IUPAC name of 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid (CID 142722064) is 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid.
What is the SMILES notation for 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid?
The canonical SMILES for 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid is C=CC1C=CC(C(=O)O)(C(=O)O)CC1.
What is the InChIKey of 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid?
The InChIKey is LGJSORBEHVBDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-7-3-5-10(6-4-7,8(11)12)9(13)14/h2-3,5,7H,1,4,6H2,(H,11,12)(H,13,14).
What are the key properties of 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid?
4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylcyclohex-2-ene-1,1-dicarboxylic acid is sourced from PubChem (CID 142722064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).