2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane

C14H23BrO2Si — CID 158102825

IUPAC2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCc1cc(C)c(Br)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C14H23BrO2Si/c1-11-8-12(2)14(15)13(9-11)17-10-16-6-7-18(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyVGAPGNVPSWBNMP-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.76
Rot. Bonds6

About 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane

2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 158102825) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID158102825
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Name2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCc1cc(C)c(Br)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C14H23BrO2Si/c1-11-8-12(2)14(15)13(9-11)17-10-16-6-7-18(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyVGAPGNVPSWBNMP-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826
5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 177307372
2-[[2-(1-cyclopropylideneethyl)-5-methylphenoxy]methoxy]ethyl-trimethylsilane
CID 10859695
2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
CID 90858279
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
CID 86675486
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
CID 156738835
4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
CID 140903839
2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166176313

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane (CID 158102825) is 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane is Cc1cc(C)c(Br)c(OCOCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is VGAPGNVPSWBNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-11-8-12(2)14(15)13(9-11)17-10-16-6-7-18(3,4)5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 331.33 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158102825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).