tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane

C18H25BClNSi — CID 122211907

IUPACtert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane
SMILESC=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl)c1ccccc1
InChIInChI=1S/C18H25BClNSi/c1-15(16-11-8-7-9-12-16)17-13-10-14-21(19(17)20)22(5,6)18(2,3)4/h7-14H,1H2,2-6H3
InChIKeyRFXYHUAKEXLQKT-UHFFFAOYSA-N
MW329.76 g/mol
LogP5.73
Rot. Bonds3

About tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane

tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane (PubChem CID 122211907) has the molecular formula C18H25BClNSi and a molecular weight of 329.76 g/mol. Its IUPAC name is tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane
PubChem CID122211907
Molecular FormulaC18H25BClNSi
Molecular Weight329.76 g/mol
Exact Mass329.15
IUPAC Nametert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane
SMILESC=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl)c1ccccc1
InChIInChI=1S/C18H25BClNSi/c1-15(16-11-8-7-9-12-16)17-13-10-14-21(19(17)20)22(5,6)18(2,3)4/h7-14H,1H2,2-6H3
InChIKeyRFXYHUAKEXLQKT-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.76
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl-dimethyl-[2-methyl-3-(3,4,5-trifluorophenyl)azaborinin-1-yl]silane
CID 157806001
Tert-butyl-[2-chloro-3-(3,4,5-trifluorophenyl)azaborinin-1-yl]-dimethylsilane
CID 122211913
Tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenyl]azaborinin-1-yl]silane
CID 162411387
4,5-Diethyl-1,2,2-trimethyl-3-phenyl-1,2,5-azasilaborole
CID 615144
Tert-butyl-dimethyl-[2-(2-phenylethynyl)azaborinin-1-yl]silane
CID 58120662
Tert-butyl-dimethyl-(2-phenylazaborinin-1-yl)silane
CID 69919534
CID 148840635
CID 148840635
Tert-butyl-dimethyl-[2-methyl-3-(1-phenylethenyl)azaborinin-1-yl]silane
CID 152885915
CID 157467328
CID 157467328
CID 159020557
CID 159020557
Tert-butyl-[3-(4-chlorophenyl)-2-methylazaborinin-1-yl]-dimethylsilane
CID 159891802
CID 160223914
CID 160223914

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane (CID 122211907) is tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane is C=C(C1=CC=CN([Si](C)(C)C(C)(C)C)B1Cl)c1ccccc1.
What is the InChIKey of tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane?
The InChIKey is RFXYHUAKEXLQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BClNSi/c1-15(16-11-8-7-9-12-16)17-13-10-14-21(19(17)20)22(5,6)18(2,3)4/h7-14H,1H2,2-6H3.
What are the key properties of tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane?
tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane has a molecular weight of 329.76 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-chloro-3-(1-phenylethenyl)azaborinin-1-yl]-dimethylsilane is sourced from PubChem (CID 122211907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).