2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate

C14H20O6 — CID 59927733

IUPAC2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
SMILESCOCCOCCOC(=O)c1ccc(COOC)cc1
InChIInChI=1S/C14H20O6/c1-16-7-8-18-9-10-19-14(15)13-5-3-12(4-6-13)11-20-17-2/h3-6H,7-11H2,1-2H3
InChIKeyBDXFDEWEBAVEKX-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.58
Rot. Bonds10

About 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate

2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate (PubChem CID 59927733) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
PubChem CID59927733
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
SMILESCOCCOCCOC(=O)c1ccc(COOC)cc1
InChIInChI=1S/C14H20O6/c1-16-7-8-18-9-10-19-14(15)13-5-3-12(4-6-13)11-20-17-2/h3-6H,7-11H2,1-2H3
InChIKeyBDXFDEWEBAVEKX-UHFFFAOYSA-N
XLogP1.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
methyl 4-[hydroxy-[4-(methylperoxymethyl)phenyl]methyl]benzoate
CID 89207897
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate (CID 59927733) is 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate is COCCOCCOC(=O)c1ccc(COOC)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate?
The InChIKey is BDXFDEWEBAVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-16-7-8-18-9-10-19-14(15)13-5-3-12(4-6-13)11-20-17-2/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate?
2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate has a molecular weight of 284.31 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate is sourced from PubChem (CID 59927733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).