22-methyltricosylphosphanium bromide

C24H52BrP — CID 87821946

IUPAC22-methyltricosylphosphanium bromide
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC[PH3+].[Br-]
InChIInChI=1S/C24H51P.BrH/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25;/h24H,3-23,25H2,1-2H3;1H
InChIKeySEIDPPSJUDSLSV-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.06
Rot. Bonds21

About 22-methyltricosylphosphanium bromide

22-methyltricosylphosphanium bromide (PubChem CID 87821946) has the molecular formula C24H52BrP and a molecular weight of 451.56 g/mol. Its IUPAC name is 22-methyltricosylphosphanium bromide.

Molecular Properties

Compound Name22-methyltricosylphosphanium bromide
PubChem CID87821946
Molecular FormulaC24H52BrP
Molecular Weight451.56 g/mol
Exact Mass450.30
IUPAC Name22-methyltricosylphosphanium bromide
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC[PH3+].[Br-]
InChIInChI=1S/C24H51P.BrH/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25;/h24H,3-23,25H2,1-2H3;1H
InChIKeySEIDPPSJUDSLSV-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.06
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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
17-methyloctadecane-1,1-diamine
CID 154316058
CID 151699977
CID 151699977
alumane;2-methyldecane
CID 174844655
2-chloro-9-methyldecane
CID 174557182

Frequently Asked Questions

What is the IUPAC name of 22-methyltricosylphosphanium bromide?
The IUPAC name of 22-methyltricosylphosphanium bromide (CID 87821946) is 22-methyltricosylphosphanium bromide.
What is the SMILES notation for 22-methyltricosylphosphanium bromide?
The canonical SMILES for 22-methyltricosylphosphanium bromide is CC(C)CCCCCCCCCCCCCCCCCCCCC[PH3+].[Br-].
What is the InChIKey of 22-methyltricosylphosphanium bromide?
The InChIKey is SEIDPPSJUDSLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.BrH/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25;/h24H,3-23,25H2,1-2H3;1H.
What are the key properties of 22-methyltricosylphosphanium bromide?
22-methyltricosylphosphanium bromide has a molecular weight of 451.56 g/mol, XLogP of 6.06, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methyltricosylphosphanium bromide is sourced from PubChem (CID 87821946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).