(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane

C17H25BBrNSi — CID 162411388

IUPAC(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=C(Br)B1Cc1ccccc1
InChIInChI=1S/C17H25BBrNSi/c1-17(2,3)21(4,5)20-13-9-12-16(19)18(20)14-15-10-7-6-8-11-15/h6-13H,14H2,1-5H3
InChIKeyQXULJNYSJQOCDA-UHFFFAOYSA-N
MW362.20 g/mol
LogP5.41
Rot. Bonds3

About (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane

(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 162411388) has the molecular formula C17H25BBrNSi and a molecular weight of 362.20 g/mol. Its IUPAC name is (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane
PubChem CID162411388
Molecular FormulaC17H25BBrNSi
Molecular Weight362.20 g/mol
Exact Mass361.10
IUPAC Name(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1C=CC=C(Br)B1Cc1ccccc1
InChIInChI=1S/C17H25BBrNSi/c1-17(2,3)21(4,5)20-13-9-12-16(19)18(20)14-15-10-7-6-8-11-15/h6-13H,14H2,1-5H3
InChIKeyQXULJNYSJQOCDA-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.20
LogP ≤ 55.41
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

(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane
CID 162411396
tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane
CID 122211909
lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide
CID 162280134
N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide
CID 175872996
benzyl 2-[(3S)-2-[tert-butyl(dimethyl)silyl]-1,1-dioxothiazetidin-3-yl]acetate
CID 12992568
benzyl(ditert-butyl)azanium
CID 58320117
(2-fluoro-2-methylpropyl)benzene
CID 14343442
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
benzyl-tert-butyl-methyl-phenylstannane
CID 12659924

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane (CID 162411388) is (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)N1C=CC=C(Br)B1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane?
The InChIKey is QXULJNYSJQOCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BBrNSi/c1-17(2,3)21(4,5)20-13-9-12-16(19)18(20)14-15-10-7-6-8-11-15/h6-13H,14H2,1-5H3.
What are the key properties of (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane?
(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 362.20 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 162411388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).