methyl-[methyl(propyl)boranyl]phosphane

C5H14BP — CID 89355838

IUPACmethyl-[methyl(propyl)boranyl]phosphane
SMILESCCCB(C)PC
InChIInChI=1S/C5H14BP/c1-4-5-6(2)7-3/h7H,4-5H2,1-3H3
InChIKeyFJGKUFAYHBNCRI-UHFFFAOYSA-N
MW115.95 g/mol
LogP2.33
Rot. Bonds3

About methyl-[methyl(propyl)boranyl]phosphane

methyl-[methyl(propyl)boranyl]phosphane (PubChem CID 89355838) has the molecular formula C5H14BP and a molecular weight of 115.95 g/mol. Its IUPAC name is methyl-[methyl(propyl)boranyl]phosphane.

Molecular Properties

Compound Namemethyl-[methyl(propyl)boranyl]phosphane
PubChem CID89355838
Molecular FormulaC5H14BP
Molecular Weight115.95 g/mol
Exact Mass116.09
IUPAC Namemethyl-[methyl(propyl)boranyl]phosphane
SMILESCCCB(C)PC
InChIInChI=1S/C5H14BP/c1-4-5-6(2)7-3/h7H,4-5H2,1-3H3
InChIKeyFJGKUFAYHBNCRI-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.95
LogP ≤ 52.33
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 methyl-[methyl(propyl)boranyl]phosphane 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 methyl-[methyl(propyl)boranyl]phosphane?
The IUPAC name of methyl-[methyl(propyl)boranyl]phosphane (CID 89355838) is methyl-[methyl(propyl)boranyl]phosphane.
What is the SMILES notation for methyl-[methyl(propyl)boranyl]phosphane?
The canonical SMILES for methyl-[methyl(propyl)boranyl]phosphane is CCCB(C)PC.
What is the InChIKey of methyl-[methyl(propyl)boranyl]phosphane?
The InChIKey is FJGKUFAYHBNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14BP/c1-4-5-6(2)7-3/h7H,4-5H2,1-3H3.
What are the key properties of methyl-[methyl(propyl)boranyl]phosphane?
methyl-[methyl(propyl)boranyl]phosphane has a molecular weight of 115.95 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[methyl(propyl)boranyl]phosphane is sourced from PubChem (CID 89355838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).