tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane

C24H34ClNO3Si — CID 123573226

IUPACtert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane
SMILESCCOc1ccc(Oc2ccc(C=CC(C)CO[Si](C)(C)C(C)(C)C)cn2)c(Cl)c1
InChIInChI=1S/C24H34ClNO3Si/c1-8-27-20-12-13-22(21(25)15-20)29-23-14-11-19(16-26-23)10-9-18(2)17-28-30(6,7)24(3,4)5/h9-16,18H,8,17H2,1-7H3
InChIKeyQGKTZDZTMOBVKN-UHFFFAOYSA-N
MW448.08 g/mol
LogP7.60
Rot. Bonds9

About tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane

tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane (PubChem CID 123573226) has the molecular formula C24H34ClNO3Si and a molecular weight of 448.08 g/mol. Its IUPAC name is tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane
PubChem CID123573226
Molecular FormulaC24H34ClNO3Si
Molecular Weight448.08 g/mol
Exact Mass447.20
IUPAC Nametert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane
SMILESCCOc1ccc(Oc2ccc(C=CC(C)CO[Si](C)(C)C(C)(C)C)cn2)c(Cl)c1
InChIInChI=1S/C24H34ClNO3Si/c1-8-27-20-12-13-22(21(25)15-20)29-23-14-11-19(16-26-23)10-9-18(2)17-28-30(6,7)24(3,4)5/h9-16,18H,8,17H2,1-7H3
InChIKeyQGKTZDZTMOBVKN-UHFFFAOYSA-N
XLogP7.60
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.08
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane (CID 123573226) is tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane is CCOc1ccc(Oc2ccc(C=CC(C)CO[Si](C)(C)C(C)(C)C)cn2)c(Cl)c1.
What is the InChIKey of tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane?
The InChIKey is QGKTZDZTMOBVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClNO3Si/c1-8-27-20-12-13-22(21(25)15-20)29-23-14-11-19(16-26-23)10-9-18(2)17-28-30(6,7)24(3,4)5/h9-16,18H,8,17H2,1-7H3.
What are the key properties of tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane?
tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane has a molecular weight of 448.08 g/mol, XLogP of 7.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enoxy]-dimethylsilane is sourced from PubChem (CID 123573226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).