tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane

C19H28BNSi — CID 152885915

IUPACtert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane
SMILESC=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1C)c1ccccc1
InChIInChI=1S/C19H28BNSi/c1-16(17-12-9-8-10-13-17)18-14-11-15-21(20(18)5)22(6,7)19(2,3)4/h8-15H,1H2,2-7H3
InChIKeyUCMKWHUNVSHSDN-UHFFFAOYSA-N
MW309.34 g/mol
LogP5.62
Rot. Bonds3

About tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane

tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane (PubChem CID 152885915) has the molecular formula C19H28BNSi and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane
PubChem CID152885915
Molecular FormulaC19H28BNSi
Molecular Weight309.34 g/mol
Exact Mass309.21
IUPAC Nametert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane
SMILESC=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1C)c1ccccc1
InChIInChI=1S/C19H28BNSi/c1-16(17-12-9-8-10-13-17)18-14-11-15-21(20(18)5)22(6,7)19(2,3)4/h8-15H,1H2,2-7H3
InChIKeyUCMKWHUNVSHSDN-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.34
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane (CID 152885915) is tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane is C=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane?
The InChIKey is UCMKWHUNVSHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BNSi/c1-16(17-12-9-8-10-13-17)18-14-11-15-21(20(18)5)22(6,7)19(2,3)4/h8-15H,1H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane?
tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane has a molecular weight of 309.34 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane is sourced from PubChem (CID 152885915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).