[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane

C25H38OSi — CID 139910843

IUPAC[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C25H38OSi/c1-17-12-13-20(18(2)14-17)19-15-21(24(3,4)5)23(26-27(9,10)11)22(16-19)25(6,7)8/h12-16H,1-11H3
InChIKeyWEXYPFYRWAIODZ-UHFFFAOYSA-N
MW382.66 g/mol
LogP7.78
Rot. Bonds3

About [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane

[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane (PubChem CID 139910843) has the molecular formula C25H38OSi and a molecular weight of 382.66 g/mol. Its IUPAC name is [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane
PubChem CID139910843
Molecular FormulaC25H38OSi
Molecular Weight382.66 g/mol
Exact Mass382.27
IUPAC Name[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane
SMILESCc1ccc(-c2cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C25H38OSi/c1-17-12-13-20(18(2)14-17)19-15-21(24(3,4)5)23(26-27(9,10)11)22(16-19)25(6,7)8/h12-16H,1-11H3
InChIKeyWEXYPFYRWAIODZ-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane?
The IUPAC name of [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane (CID 139910843) is [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane.
What is the SMILES notation for [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane?
The canonical SMILES for [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane is Cc1ccc(-c2cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane?
The InChIKey is WEXYPFYRWAIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38OSi/c1-17-12-13-20(18(2)14-17)19-15-21(24(3,4)5)23(26-27(9,10)11)22(16-19)25(6,7)8/h12-16H,1-11H3.
What are the key properties of [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane?
[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane has a molecular weight of 382.66 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane is sourced from PubChem (CID 139910843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).