2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane

C22H43BrCl2O4Si2 — CID 90858279

IUPAC2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl
InChIInChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2
InChIKeyBOEWUWCWDWAXRL-UHFFFAOYSA-N
MW578.56 g/mol
LogP8.24
Rot. Bonds11

About 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane

2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane (PubChem CID 90858279) has the molecular formula C22H43BrCl2O4Si2 and a molecular weight of 578.56 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
PubChem CID90858279
Molecular FormulaC22H43BrCl2O4Si2
Molecular Weight578.56 g/mol
Exact Mass576.13
IUPAC Name2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
SMILESCCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl
InChIInChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2
InChIKeyBOEWUWCWDWAXRL-UHFFFAOYSA-N
XLogP8.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.56
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The IUPAC name of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane (CID 90858279) is 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane.
What is the SMILES notation for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The canonical SMILES for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane is CCOCC[Si](C)(C)C.COc1cc(Br)c(C)cc1OCOCC[Si](C)(C)C.ClCCl.
What is the InChIKey of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
The InChIKey is BOEWUWCWDWAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3Si.C7H18OSi.CH2Cl2/c1-11-8-14(13(16-2)9-12(11)15)18-10-17-6-7-19(3,4)5;1-5-8-6-7-9(2,3)4;2-1-3/h8-9H,6-7,10H2,1-5H3;5-7H2,1-4H3;1H2.
What are the key properties of 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane?
2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane has a molecular weight of 578.56 g/mol, XLogP of 8.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane is sourced from PubChem (CID 90858279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).