1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane

C18H40Cl2N2Si4 — CID 139054025

IUPAC1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane
SMILESC=C([Si](C)(C)C)[Si@]1(Cl)N(C(C)(C)C)[Si@@](Cl)(C(=C)[Si](C)(C)C)N1C(C)(C)C
InChIInChI=1S/C18H40Cl2N2Si4/c1-15(23(9,10)11)25(19)21(17(3,4)5)26(20,16(2)24(12,13)14)22(25)18(6,7)8/h1-2H2,3-14H3/t25-,26-
InChIKeyUNVPLEOHYBGKJB-DIVCQZSQSA-N
MW467.78 g/mol
LogP6.50
Rot. Bonds4

About 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane

1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane (PubChem CID 139054025) has the molecular formula C18H40Cl2N2Si4 and a molecular weight of 467.78 g/mol. Its IUPAC name is 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane.

Molecular Properties

Compound Name1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane
PubChem CID139054025
Molecular FormulaC18H40Cl2N2Si4
Molecular Weight467.78 g/mol
Exact Mass466.16
IUPAC Name1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane
SMILESC=C([Si](C)(C)C)[Si@]1(Cl)N(C(C)(C)C)[Si@@](Cl)(C(=C)[Si](C)(C)C)N1C(C)(C)C
InChIInChI=1S/C18H40Cl2N2Si4/c1-15(23(9,10)11)25(19)21(17(3,4)5)26(20,16(2)24(12,13)14)22(25)18(6,7)8/h1-2H2,3-14H3/t25-,26-
InChIKeyUNVPLEOHYBGKJB-DIVCQZSQSA-N
XLogP6.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane?
The IUPAC name of 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane (CID 139054025) is 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane.
What is the SMILES notation for 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane?
The canonical SMILES for 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane is C=C([Si](C)(C)C)[Si@]1(Cl)N(C(C)(C)C)[Si@@](Cl)(C(=C)[Si](C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane?
The InChIKey is UNVPLEOHYBGKJB-DIVCQZSQSA-N. The full InChI is InChI=1S/C18H40Cl2N2Si4/c1-15(23(9,10)11)25(19)21(17(3,4)5)26(20,16(2)24(12,13)14)22(25)18(6,7)8/h1-2H2,3-14H3/t25-,26-.
What are the key properties of 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane?
1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane has a molecular weight of 467.78 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-ditert-butyl-2,4-dichloro-4-(1-trimethylsilylethenyl)-1,3,2,4-diazadisiletidin-2-yl]ethenyl-trimethylsilane is sourced from PubChem (CID 139054025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).