tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane

C19H30BNSi — CID 146168317

IUPACtert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane
SMILESCc1cc(C)c(B2C=CC=CN2[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C19H30BNSi/c1-15-13-16(2)18(17(3)14-15)20-11-9-10-12-21(20)22(7,8)19(4,5)6/h9-14H,1-8H3
InChIKeyQUTPRWUTQUQMQC-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.74
Rot. Bonds2

About tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane

tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane (PubChem CID 146168317) has the molecular formula C19H30BNSi and a molecular weight of 311.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane
PubChem CID146168317
Molecular FormulaC19H30BNSi
Molecular Weight311.35 g/mol
Exact Mass311.22
IUPAC Nametert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane
SMILESCc1cc(C)c(B2C=CC=CN2[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C19H30BNSi/c1-15-13-16(2)18(17(3)14-15)20-11-9-10-12-21(20)22(7,8)19(4,5)6/h9-14H,1-8H3
InChIKeyQUTPRWUTQUQMQC-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
CID 160223914
CID 160223914
CID 161198206
CID 161198206

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane (CID 146168317) is tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane is Cc1cc(C)c(B2C=CC=CN2[Si](C)(C)C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane?
The InChIKey is QUTPRWUTQUQMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BNSi/c1-15-13-16(2)18(17(3)14-15)20-11-9-10-12-21(20)22(7,8)19(4,5)6/h9-14H,1-8H3.
What are the key properties of tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane?
tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane has a molecular weight of 311.35 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(2,4,6-trimethylphenyl)azaborinin-1-yl]silane is sourced from PubChem (CID 146168317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).