CID 164676935

C13H30BNP2+ — CID 164676935

IUPAC—
SMILES[B-][P+](C)(N=[P+](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30BNP2/c1-11(2,3)16(12(4,5)6)15-17(10,14)13(7,8)9/h1-10H3/q+1
InChIKeyWUSHOZUMPLWQQT-UHFFFAOYSA-N
MW273.15 g/mol
LogP5.69
Rot. Bonds1

About CID 164676935

CID 164676935 (PubChem CID 164676935) has the molecular formula C13H30BNP2+ and a molecular weight of 273.15 g/mol.

Molecular Properties

Compound NameCID 164676935
PubChem CID164676935
Molecular FormulaC13H30BNP2+
Molecular Weight273.15 g/mol
Exact Mass273.19
IUPAC Name—
SMILES[B-][P+](C)(N=[P+](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30BNP2/c1-11(2,3)16(12(4,5)6)15-17(10,14)13(7,8)9/h1-10H3/q+1
InChIKeyWUSHOZUMPLWQQT-UHFFFAOYSA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.15
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 164676935 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

CID 123563572
CID 123563572
2-methylpropane;silane
CID 174107172
CID 134956970
CID 134956970
CID 87631272
CID 87631272
2,3-dimethylbutan-2-yldiazene
CID 130441706
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
propan-2-yliminoalumane
CID 173149754
ditert-butyl-methyl-propan-2-ylsilane
CID 140729295
CID 136756069
CID 136756069
CID 142215030
CID 142215030
CID 88652167
CID 88652167
2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
CID 147318009

Frequently Asked Questions

What is the IUPAC name of CID 164676935?
The IUPAC name of CID 164676935 (CID 164676935) is not available.
What is the SMILES notation for CID 164676935?
The canonical SMILES for CID 164676935 is [B-][P+](C)(N=[P+](C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of CID 164676935?
The InChIKey is WUSHOZUMPLWQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30BNP2/c1-11(2,3)16(12(4,5)6)15-17(10,14)13(7,8)9/h1-10H3/q+1.
What are the key properties of CID 164676935?
CID 164676935 has a molecular weight of 273.15 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164676935 is sourced from PubChem (CID 164676935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).