bromo(docosyl)phosphane

C22H46BrP — CID 141178082

IUPACbromo(docosyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCPBr
InChIInChI=1S/C22H46BrP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23/h24H,2-22H2,1H3
InChIKeyGYGCTMIZUMTFTE-UHFFFAOYSA-N
MW421.49 g/mol
LogP9.80
Rot. Bonds21

About bromo(docosyl)phosphane

bromo(docosyl)phosphane (PubChem CID 141178082) has the molecular formula C22H46BrP and a molecular weight of 421.49 g/mol. Its IUPAC name is bromo(docosyl)phosphane.

Molecular Properties

Compound Namebromo(docosyl)phosphane
PubChem CID141178082
Molecular FormulaC22H46BrP
Molecular Weight421.49 g/mol
Exact Mass420.25
IUPAC Namebromo(docosyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCPBr
InChIInChI=1S/C22H46BrP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23/h24H,2-22H2,1H3
InChIKeyGYGCTMIZUMTFTE-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 59.80
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'}

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Related Compounds

bromo(nonyl)phosphane
CID 57003032
bromo(butyl)phosphane
CID 142636402
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
methyl(tetradecyl)phosphane
CID 88708624
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of bromo(docosyl)phosphane?
The IUPAC name of bromo(docosyl)phosphane (CID 141178082) is bromo(docosyl)phosphane.
What is the SMILES notation for bromo(docosyl)phosphane?
The canonical SMILES for bromo(docosyl)phosphane is CCCCCCCCCCCCCCCCCCCCCCPBr.
What is the InChIKey of bromo(docosyl)phosphane?
The InChIKey is GYGCTMIZUMTFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46BrP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23/h24H,2-22H2,1H3.
What are the key properties of bromo(docosyl)phosphane?
bromo(docosyl)phosphane has a molecular weight of 421.49 g/mol, XLogP of 9.80, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(docosyl)phosphane is sourced from PubChem (CID 141178082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).