[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide

C14H38B2P2 — CID 99770819

IUPAC[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide
SMILES[BH3-][P+](C)(C[P+]([BH3-])(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H38B2P2/c1-12(2,3)17(10,15)11-18(16,13(4,5)6)14(7,8)9/h11H2,1-10,15-16H3
InChIKeyBQBJOLWOKQKQAO-UHFFFAOYSA-N
MW290.03 g/mol
LogP3.57
Rot. Bonds2

About [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide

[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide (PubChem CID 99770819) has the molecular formula C14H38B2P2 and a molecular weight of 290.03 g/mol. Its IUPAC name is [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide.

Molecular Properties

Compound Name[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide
PubChem CID99770819
Molecular FormulaC14H38B2P2
Molecular Weight290.03 g/mol
Exact Mass290.26
IUPAC Name[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide
SMILES[BH3-][P+](C)(C[P+]([BH3-])(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H38B2P2/c1-12(2,3)17(10,15)11-18(16,13(4,5)6)14(7,8)9/h11H2,1-10,15-16H3
InChIKeyBQBJOLWOKQKQAO-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.03
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide 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

[[(boranuidyl-tert-butyl-methylphosphaniumyl)-methylamino]-tert-butyl-methylphosphaniumyl]boranuide
CID 158669253
[tert-butyl-(hydroxymethyl)-methylphosphaniumyl]boranuide;[tert-butyl(methyl)phosphoryl]methanol;methane;molecular iodine
CID 159028540
2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
CID 123832462
1,1-dichloro-3,5,5-trimethylhexane
CID 91082189
2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
CID 174913828
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
[6-dimethoxysilyl-4-(2-dimethoxysilylpropyl)-4-methylheptan-2-yl]-dimethoxysilane
CID 123257611
5-fluoro-2,3,3,4-tetramethylhexane
CID 170059541
N-(2-methylpentan-2-yl)-N-propan-2-ylhydroxylamine
CID 142951346
ditert-butyl(dimethyl)phosphanium;tetrabutylboranuide
CID 156801058
chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)
CID 173241602
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide?
The IUPAC name of [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide (CID 99770819) is [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide.
What is the SMILES notation for [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide?
The canonical SMILES for [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide is [BH3-][P+](C)(C[P+]([BH3-])(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide?
The InChIKey is BQBJOLWOKQKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38B2P2/c1-12(2,3)17(10,15)11-18(16,13(4,5)6)14(7,8)9/h11H2,1-10,15-16H3.
What are the key properties of [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide?
[(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide has a molecular weight of 290.03 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(boranuidyl-tert-butyl-methylphosphaniumyl)methyl-ditert-butylphosphaniumyl]boranuide is sourced from PubChem (CID 99770819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).