4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid

C14H22O6 — CID 58454393

IUPAC4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22O6/c1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16/h11-12H,1,3-9H2,2H3,(H,15,16)
InChIKeyGWUQJHMRQSAMRD-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.94
Rot. Bonds8

About 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid

4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid (PubChem CID 58454393) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid
PubChem CID58454393
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid
SMILESC=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22O6/c1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16/h11-12H,1,3-9H2,2H3,(H,15,16)
InChIKeyGWUQJHMRQSAMRD-UHFFFAOYSA-N
XLogP1.94
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid (CID 58454393) is 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid is C=C(C)C(=O)OCCOOCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GWUQJHMRQSAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-10(2)14(17)18-7-8-19-20-9-11-3-5-12(6-4-11)13(15)16/h11-12H,1,3-9H2,2H3,(H,15,16).
What are the key properties of 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid?
4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoyloxy)ethylperoxymethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58454393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).