[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane

C18H32ClIO2Si2 — CID 90430909

IUPAC[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
SMILESCC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)c1c(Cl)cccc1CI
InChIInChI=1S/C18H32ClIO2Si2/c1-13(2)17(21-23(3,4)5)18(22-24(6,7)8)16-14(12-20)10-9-11-15(16)19/h9-11,13,17-18H,12H2,1-8H3
InChIKeyULFYXTJHUDQCNI-UHFFFAOYSA-N
MW498.98 g/mol
LogP7.04
Rot. Bonds8

About [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane

[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane (PubChem CID 90430909) has the molecular formula C18H32ClIO2Si2 and a molecular weight of 498.98 g/mol. Its IUPAC name is [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
PubChem CID90430909
Molecular FormulaC18H32ClIO2Si2
Molecular Weight498.98 g/mol
Exact Mass498.07
IUPAC Name[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
SMILESCC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)c1c(Cl)cccc1CI
InChIInChI=1S/C18H32ClIO2Si2/c1-13(2)17(21-23(3,4)5)18(22-24(6,7)8)16-14(12-20)10-9-11-15(16)19/h9-11,13,17-18H,12H2,1-8H3
InChIKeyULFYXTJHUDQCNI-UHFFFAOYSA-N
XLogP7.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.98
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
CID 159975802
[(2,6-dichlorophenyl)-isocyanomethoxy]-trimethylsilane
CID 123844422
(2S)-2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetaldehyde
CID 125465616
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
1-(2-bromoethyl)-3-chloro-2-(diiodomethyl)benzene
CID 175283086
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
CID 144705772
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
CID 68641962
[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 169498298

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The IUPAC name of [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane (CID 90430909) is [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane is CC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)c1c(Cl)cccc1CI.
What is the InChIKey of [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The InChIKey is ULFYXTJHUDQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClIO2Si2/c1-13(2)17(21-23(3,4)5)18(22-24(6,7)8)16-14(12-20)10-9-11-15(16)19/h9-11,13,17-18H,12H2,1-8H3.
What are the key properties of [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane has a molecular weight of 498.98 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 90430909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).