4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid

C11H16O4 — CID 66772843

IUPAC4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid
SMILESCC(=CC1CCC(C(=O)O)CC1)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyVVWHEOGHGYNMMJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds3

About 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid

4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid (PubChem CID 66772843) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid
PubChem CID66772843
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid
SMILESCC(=CC1CCC(C(=O)O)CC1)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyVVWHEOGHGYNMMJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
CID 20611019
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
3-[4-(1-cyclohexylethyl)cyclohexyl]-2-methylprop-2-enoic acid
CID 67084326
3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]-2-methylprop-2-enoic acid
CID 67084322
chloroethene;3-cyclohexyl-2-methylprop-2-enoic acid
CID 173231321
4-[4-[4-[4-(4-formylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane-1-carboxylic acid
CID 58462814
4-ethenylcyclohexane-1-carboxylic acid
CID 18538169
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081
sodium 3-cyclopropyl-2-methylprop-2-enoate
CID 175580968
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid (CID 66772843) is 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid is CC(=CC1CCC(C(=O)O)CC1)C(=O)O.
What is the InChIKey of 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid?
The InChIKey is VVWHEOGHGYNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(10(12)13)6-8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid?
4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66772843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).