2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate

C15H22O6 — CID 174759685

IUPAC2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate
SMILESCCc1ccc(OCCOC)c(C(=O)OOCCOC)c1
InChIInChI=1S/C15H22O6/c1-4-12-5-6-14(19-9-7-17-2)13(11-12)15(16)21-20-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyWZKGVKQUMCTATA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.01
Rot. Bonds10

About 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate

2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate (PubChem CID 174759685) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate.

Molecular Properties

Compound Name2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate
PubChem CID174759685
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate
SMILESCCc1ccc(OCCOC)c(C(=O)OOCCOC)c1
InChIInChI=1S/C15H22O6/c1-4-12-5-6-14(19-9-7-17-2)13(11-12)15(16)21-20-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyWZKGVKQUMCTATA-UHFFFAOYSA-N
XLogP2.01
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate?
The IUPAC name of 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate (CID 174759685) is 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate.
What is the SMILES notation for 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate?
The canonical SMILES for 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate is CCc1ccc(OCCOC)c(C(=O)OOCCOC)c1.
What is the InChIKey of 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate?
The InChIKey is WZKGVKQUMCTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-12-5-6-14(19-9-7-17-2)13(11-12)15(16)21-20-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate?
2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate has a molecular weight of 298.34 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-ethyl-2-(2-methoxyethoxy)benzenecarboperoxoate is sourced from PubChem (CID 174759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).