1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C16H26O6 — CID 89264123

IUPAC1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC=Cc1ccc(COOC)cc1.OCCOCCOCCO
InChIInChI=1S/C10H12O2.C6H14O4/c1-3-9-4-6-10(7-5-9)8-12-11-2;7-1-3-9-5-6-10-4-2-8/h3-7H,1,8H2,2H3;7-8H,1-6H2
InChIKeyWQSFFWFAUFYGAR-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.41
Rot. Bonds11

About 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 89264123) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID89264123
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESC=Cc1ccc(COOC)cc1.OCCOCCOCCO
InChIInChI=1S/C10H12O2.C6H14O4/c1-3-9-4-6-10(7-5-9)8-12-11-2;7-1-3-9-5-6-10-4-2-8/h3-7H,1,8H2,2H3;7-8H,1-6H2
InChIKeyWQSFFWFAUFYGAR-UHFFFAOYSA-N
XLogP1.41
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
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 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 89264123) is 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is C=Cc1ccc(COOC)cc1.OCCOCCOCCO.
What is the InChIKey of 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is WQSFFWFAUFYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C6H14O4/c1-3-9-4-6-10(7-5-9)8-12-11-2;7-1-3-9-5-6-10-4-2-8/h3-7H,1,8H2,2H3;7-8H,1-6H2.
What are the key properties of 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 314.38 g/mol, XLogP of 1.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 89264123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).