tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane

C20H25ClOSi — CID 135019948

IUPACtert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C(=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClOSi/c1-20(2,3)23(4,5)22-19(15-16-9-7-6-8-10-16)17-11-13-18(21)14-12-17/h6-15H,1-5H3/b19-15-
InChIKeyRNDBXKBFGAIODR-CYVLTUHYSA-N
MW344.96 g/mol
LogP6.86
Rot. Bonds4

About tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane

tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane (PubChem CID 135019948) has the molecular formula C20H25ClOSi and a molecular weight of 344.96 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane
PubChem CID135019948
Molecular FormulaC20H25ClOSi
Molecular Weight344.96 g/mol
Exact Mass344.14
IUPAC Nametert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C(=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClOSi/c1-20(2,3)23(4,5)22-19(15-16-9-7-6-8-10-16)17-11-13-18(21)14-12-17/h6-15H,1-5H3/b19-15-
InChIKeyRNDBXKBFGAIODR-CYVLTUHYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.96
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 57416887
CID 57416887
CID 11747440
CID 11747440
CID 580827
CID 580827
CID 11299849
CID 11299849
CID 89510156
CID 89510156
CID 91735267
CID 91735267
CID 137346207
CID 137346207
CID 137346208
CID 137346208
CID 178337030
CID 178337030
CID 580476
CID 580476
CID 11310436
CID 11310436
CID 10082437
CID 10082437

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane (CID 135019948) is tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O/C(=C\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane?
The InChIKey is RNDBXKBFGAIODR-CYVLTUHYSA-N. The full InChI is InChI=1S/C20H25ClOSi/c1-20(2,3)23(4,5)22-19(15-16-9-7-6-8-10-16)17-11-13-18(21)14-12-17/h6-15H,1-5H3/b19-15-.
What are the key properties of tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane?
tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane has a molecular weight of 344.96 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-(4-chlorophenyl)-2-phenylethenoxy]-dimethylsilane is sourced from PubChem (CID 135019948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).