2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate

C13H24O6 — CID 76614530

IUPAC2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate
SMILESCCOCCOOC=CC(C)C(=O)OCCOCC
InChIInChI=1S/C13H24O6/c1-4-15-8-10-17-13(14)12(3)6-7-18-19-11-9-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyGNZHSKDJKOSUPR-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.70
Rot. Bonds12

About 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate

2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate (PubChem CID 76614530) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate
PubChem CID76614530
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate
SMILESCCOCCOOC=CC(C)C(=O)OCCOCC
InChIInChI=1S/C13H24O6/c1-4-15-8-10-17-13(14)12(3)6-7-18-19-11-9-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyGNZHSKDJKOSUPR-UHFFFAOYSA-N
XLogP1.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
CID 88559833
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
2-ethoxyethyl 2-amino-2-cyclohexylacetate
CID 61277823
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
ethyl 2-methylpent-3-enoate
CID 53428586

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate?
The IUPAC name of 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate (CID 76614530) is 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate.
What is the SMILES notation for 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate?
The canonical SMILES for 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate is CCOCCOOC=CC(C)C(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate?
The InChIKey is GNZHSKDJKOSUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-4-15-8-10-17-13(14)12(3)6-7-18-19-11-9-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate?
2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate has a molecular weight of 276.33 g/mol, XLogP of 1.70, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-(2-ethoxyethylperoxy)-2-methylbut-3-enoate is sourced from PubChem (CID 76614530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).