tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane

C13H21ClO2Si — CID 125116719

IUPACtert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(Cl)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21ClO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3
InChIKeyXTUQTNFXMMRQOD-UHFFFAOYSA-N
MW272.85 g/mol
LogP4.73
Rot. Bonds3

About tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane

tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane (PubChem CID 125116719) has the molecular formula C13H21ClO2Si and a molecular weight of 272.85 g/mol. Its IUPAC name is tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
PubChem CID125116719
Molecular FormulaC13H21ClO2Si
Molecular Weight272.85 g/mol
Exact Mass272.10
IUPAC Nametert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(Cl)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21ClO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3
InChIKeyXTUQTNFXMMRQOD-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 91741360
1-[2-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]ethanone
CID 167735081
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(4-chlorophenyl)prop-2-yn-1-one
CID 169002331
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane (CID 125116719) is tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane is COc1ccc(Cl)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane?
The InChIKey is XTUQTNFXMMRQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO2Si/c1-13(2,3)17(5,6)16-12-9-10(14)7-8-11(12)15-4/h7-9H,1-6H3.
What are the key properties of tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane?
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane has a molecular weight of 272.85 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane is sourced from PubChem (CID 125116719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).