lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide

C14H25BLiNSi — CID 162280134

IUPAClithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide
SMILESCC(C)(C)[Si](C)(C)N1C=CC=C2CC=CB21.[CH3-].[Li+]
InChIInChI=1S/C13H22BNSi.CH3.Li/c1-13(2,3)16(4,5)15-11-7-9-12-8-6-10-14(12)15;;/h6-7,9-11H,8H2,1-5H3;1H3;/q;-1;+1
InChIKeyWHQMGICCTAVUEJ-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.23
Rot. Bonds1

About lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide

lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide (PubChem CID 162280134) has the molecular formula C14H25BLiNSi and a molecular weight of 253.20 g/mol. Its IUPAC name is lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide.

Molecular Properties

Compound Namelithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide
PubChem CID162280134
Molecular FormulaC14H25BLiNSi
Molecular Weight253.20 g/mol
Exact Mass253.20
IUPAC Namelithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide
SMILESCC(C)(C)[Si](C)(C)N1C=CC=C2CC=CB21.[CH3-].[Li+]
InChIInChI=1S/C13H22BNSi.CH3.Li/c1-13(2,3)16(4,5)15-11-7-9-12-8-6-10-14(12)15;;/h6-7,9-11H,8H2,1-5H3;1H3;/q;-1;+1
InChIKeyWHQMGICCTAVUEJ-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide?
The IUPAC name of lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide (CID 162280134) is lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide.
What is the SMILES notation for lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide?
The canonical SMILES for lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide is CC(C)(C)[Si](C)(C)N1C=CC=C2CC=CB21.[CH3-].[Li+].
What is the InChIKey of lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide?
The InChIKey is WHQMGICCTAVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BNSi.CH3.Li/c1-13(2,3)16(4,5)15-11-7-9-12-8-6-10-14(12)15;;/h6-7,9-11H,8H2,1-5H3;1H3;/q;-1;+1.
What are the key properties of lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide?
lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide has a molecular weight of 253.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide is sourced from PubChem (CID 162280134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).