dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid

C11H21BK2NO2Si+ — CID 21051152

IUPACdipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid
SMILESCB(O)N(C)[CH-]CC(=O)CC#C[Si](C)(C)C.[K+].[K+]
InChIInChI=1S/C11H21BNO2Si.2K/c1-12(15)13(2)9-8-11(14)7-6-10-16(3,4)5;;/h9,15H,7-8H2,1-5H3;;/q-1;2*+1
InChIKeyYOGADWPYLUQUHR-UHFFFAOYSA-N
MW316.39 g/mol
LogP-4.57
Rot. Bonds5

About dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid

dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid (PubChem CID 21051152) has the molecular formula C11H21BK2NO2Si+ and a molecular weight of 316.39 g/mol. Its IUPAC name is dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid.

Molecular Properties

Compound Namedipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid
PubChem CID21051152
Molecular FormulaC11H21BK2NO2Si+
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Namedipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid
SMILESCB(O)N(C)[CH-]CC(=O)CC#C[Si](C)(C)C.[K+].[K+]
InChIInChI=1S/C11H21BNO2Si.2K/c1-12(15)13(2)9-8-11(14)7-6-10-16(3,4)5;;/h9,15H,7-8H2,1-5H3;;/q-1;2*+1
InChIKeyYOGADWPYLUQUHR-UHFFFAOYSA-N
XLogP-4.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 5-4.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid 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 dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid?
The IUPAC name of dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid (CID 21051152) is dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid.
What is the SMILES notation for dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid?
The canonical SMILES for dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid is CB(O)N(C)[CH-]CC(=O)CC#C[Si](C)(C)C.[K+].[K+].
What is the InChIKey of dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid?
The InChIKey is YOGADWPYLUQUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BNO2Si.2K/c1-12(15)13(2)9-8-11(14)7-6-10-16(3,4)5;;/h9,15H,7-8H2,1-5H3;;/q-1;2*+1.
What are the key properties of dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid?
dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid has a molecular weight of 316.39 g/mol, XLogP of -4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;N-dimethyl-N-(3-oxo-6-trimethylsilylhex-5-ynyl)boronamidic acid is sourced from PubChem (CID 21051152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).