bromo-tetra(undecyl)-λ5-phosphane

C44H92BrP — CID 162511876

IUPACbromo-tetra(undecyl)-λ5-phosphane
SMILESCCCCCCCCCCCP(Br)(CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C44H92BrP/c1-5-9-13-17-21-25-29-33-37-41-46(45,42-38-34-30-26-22-18-14-10-6-2,43-39-35-31-27-23-19-15-11-7-3)44-40-36-32-28-24-20-16-12-8-4/h5-44H2,1-4H3
InChIKeyBODYKQVWCHJESG-UHFFFAOYSA-N
MW732.10 g/mol
LogP17.97
Rot. Bonds40

About bromo-tetra(undecyl)-λ5-phosphane

bromo-tetra(undecyl)-λ5-phosphane (PubChem CID 162511876) has the molecular formula C44H92BrP and a molecular weight of 732.10 g/mol. Its IUPAC name is bromo-tetra(undecyl)-λ5-phosphane.

Molecular Properties

Compound Namebromo-tetra(undecyl)-λ5-phosphane
PubChem CID162511876
Molecular FormulaC44H92BrP
Molecular Weight732.10 g/mol
Exact Mass730.61
IUPAC Namebromo-tetra(undecyl)-λ5-phosphane
SMILESCCCCCCCCCCCP(Br)(CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C44H92BrP/c1-5-9-13-17-21-25-29-33-37-41-46(45,42-38-34-30-26-22-18-14-10-6-2,43-39-35-31-27-23-19-15-11-7-3)44-40-36-32-28-24-20-16-12-8-4/h5-44H2,1-4H3
InChIKeyBODYKQVWCHJESG-UHFFFAOYSA-N
XLogP17.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds40
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.10
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-tetra(undecyl)-λ5-phosphane 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

bromo-tetra(tetradecyl)-λ5-phosphane
CID 140527953
bromo-hexyl-trioctyl-λ5-phosphane
CID 140528145
bromo-triheptyl-pentyl-λ5-phosphane
CID 140527924
bromo-didodecyl-dipentyl-λ5-phosphane
CID 140527917
bromo-octadecyl-tripentyl-λ5-phosphane
CID 140527939
bromo(tetrahexadecyl)-lambda5-phosphane
CID 14009065
bromo-triheptyl-hexyl-λ5-phosphane
CID 140528130
bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537
bromo-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700828

Frequently Asked Questions

What is the IUPAC name of bromo-tetra(undecyl)-λ5-phosphane?
The IUPAC name of bromo-tetra(undecyl)-λ5-phosphane (CID 162511876) is bromo-tetra(undecyl)-λ5-phosphane.
What is the SMILES notation for bromo-tetra(undecyl)-λ5-phosphane?
The canonical SMILES for bromo-tetra(undecyl)-λ5-phosphane is CCCCCCCCCCCP(Br)(CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC.
What is the InChIKey of bromo-tetra(undecyl)-λ5-phosphane?
The InChIKey is BODYKQVWCHJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H92BrP/c1-5-9-13-17-21-25-29-33-37-41-46(45,42-38-34-30-26-22-18-14-10-6-2,43-39-35-31-27-23-19-15-11-7-3)44-40-36-32-28-24-20-16-12-8-4/h5-44H2,1-4H3.
What are the key properties of bromo-tetra(undecyl)-λ5-phosphane?
bromo-tetra(undecyl)-λ5-phosphane has a molecular weight of 732.10 g/mol, XLogP of 17.97, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tetra(undecyl)-λ5-phosphane is sourced from PubChem (CID 162511876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).