[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane

C24H47ClO3Si3 — CID 11168019

IUPAC[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)c(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H47ClO3Si3/c1-22(2,3)29(10,11)26-18-16-19(25)21(28-31(14,15)24(7,8)9)20(17-18)27-30(12,13)23(4,5)6/h16-17H,1-15H3
InChIKeyIEMXPEXAIULEKX-UHFFFAOYSA-N
MW503.35 g/mol
LogP9.49
Rot. Bonds6

About [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane

[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane (PubChem CID 11168019) has the molecular formula C24H47ClO3Si3 and a molecular weight of 503.35 g/mol. Its IUPAC name is [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
PubChem CID11168019
Molecular FormulaC24H47ClO3Si3
Molecular Weight503.35 g/mol
Exact Mass502.25
IUPAC Name[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)c(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H47ClO3Si3/c1-22(2,3)29(10,11)26-18-16-19(25)21(28-31(14,15)24(7,8)9)20(17-18)27-30(12,13)23(4,5)6/h16-17H,1-15H3
InChIKeyIEMXPEXAIULEKX-UHFFFAOYSA-N
XLogP9.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.35
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane (CID 11168019) is [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(Cl)c(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane?
The InChIKey is IEMXPEXAIULEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47ClO3Si3/c1-22(2,3)29(10,11)26-18-16-19(25)21(28-31(14,15)24(7,8)9)20(17-18)27-30(12,13)23(4,5)6/h16-17H,1-15H3.
What are the key properties of [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane?
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane has a molecular weight of 503.35 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11168019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).