tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane

C16H24Cl2OSi — CID 10871263

IUPACtert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2OSi/c1-12(13-7-8-14(17)15(18)11-13)9-10-19-20(5,6)16(2,3)4/h7-8,11H,1,9-10H2,2-6H3
InChIKeySURNLUQUBZMTRV-UHFFFAOYSA-N
MW331.36 g/mol
LogP6.42
Rot. Bonds5

About tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane

tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane (PubChem CID 10871263) has the molecular formula C16H24Cl2OSi and a molecular weight of 331.36 g/mol. Its IUPAC name is tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane
PubChem CID10871263
Molecular FormulaC16H24Cl2OSi
Molecular Weight331.36 g/mol
Exact Mass330.10
IUPAC Nametert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2OSi/c1-12(13-7-8-14(17)15(18)11-13)9-10-19-20(5,6)16(2,3)4/h7-8,11H,1,9-10H2,2-6H3
InChIKeySURNLUQUBZMTRV-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.36
LogP ≤ 56.42
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 tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane (CID 10871263) is tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane is C=C(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane?
The InChIKey is SURNLUQUBZMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2OSi/c1-12(13-7-8-14(17)15(18)11-13)9-10-19-20(5,6)16(2,3)4/h7-8,11H,1,9-10H2,2-6H3.
What are the key properties of tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane?
tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane has a molecular weight of 331.36 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3,4-dichlorophenyl)but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10871263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).