tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane

C20H28O2Si — CID 23553287

IUPACtert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H28O2Si/c1-20(2,3)23(5,6)22-19-13-9-17(10-14-19)15-16-7-11-18(21-4)12-8-16/h7-14H,15H2,1-6H3
InChIKeyFKKINDUQHOPDNP-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.67
Rot. Bonds5

About tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane

tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane (PubChem CID 23553287) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
PubChem CID23553287
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Nametert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H28O2Si/c1-20(2,3)23(5,6)22-19-13-9-17(10-14-19)15-16-7-11-18(21-4)12-8-16/h7-14H,15H2,1-6H3
InChIKeyFKKINDUQHOPDNP-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.67
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-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane (CID 23553287) is tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane is COc1ccc(Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane?
The InChIKey is FKKINDUQHOPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-20(2,3)23(5,6)22-19-13-9-17(10-14-19)15-16-7-11-18(21-4)12-8-16/h7-14H,15H2,1-6H3.
What are the key properties of tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 23553287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).