tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane

C15H23ClOSi — CID 67464197

IUPACtert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClOSi/c1-15(2,3)18(4,5)17-11-7-9-13-8-6-10-14(16)12-13/h6-10,12H,11H2,1-5H3
InChIKeyVAROVFYPGCBCFP-UHFFFAOYSA-N
MW282.89 g/mol
LogP5.38
Rot. Bonds4

About tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane

tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane (PubChem CID 67464197) has the molecular formula C15H23ClOSi and a molecular weight of 282.89 g/mol. Its IUPAC name is tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
PubChem CID67464197
Molecular FormulaC15H23ClOSi
Molecular Weight282.89 g/mol
Exact Mass282.12
IUPAC Nametert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClOSi/c1-15(2,3)18(4,5)17-11-7-9-13-8-6-10-14(16)12-13/h6-10,12H,11H2,1-5H3
InChIKeyVAROVFYPGCBCFP-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.89
LogP ≤ 55.38
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-chlorophenyl)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane (CID 67464197) is tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC=Cc1cccc(Cl)c1.
What is the InChIKey of tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane?
The InChIKey is VAROVFYPGCBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClOSi/c1-15(2,3)18(4,5)17-11-7-9-13-8-6-10-14(16)12-13/h6-10,12H,11H2,1-5H3.
What are the key properties of tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane?
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane has a molecular weight of 282.89 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 67464197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).