tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane

C21H30O2Si — CID 10066004

IUPACtert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane
SMILESCOc1cccc(CCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1
InChIInChI=1S/C21H30O2Si/c1-21(2,3)24(5,6)23-19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22-4/h7-9,12-16H,10-11H2,1-6H3
InChIKeyPLDZORXCNMFWQE-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.86
Rot. Bonds6

About tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane

tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane (PubChem CID 10066004) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane
PubChem CID10066004
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Nametert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane
SMILESCOc1cccc(CCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1
InChIInChI=1S/C21H30O2Si/c1-21(2,3)24(5,6)23-19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22-4/h7-9,12-16H,10-11H2,1-6H3
InChIKeyPLDZORXCNMFWQE-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane (CID 10066004) is tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane is COc1cccc(CCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1.
What is the InChIKey of tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane?
The InChIKey is PLDZORXCNMFWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-21(2,3)24(5,6)23-19-14-12-17(13-15-19)10-11-18-8-7-9-20(16-18)22-4/h7-9,12-16H,10-11H2,1-6H3.
What are the key properties of tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane has a molecular weight of 342.56 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 10066004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).