benzyl-dimethyl-pentadecylphosphanium

C24H44P+ — CID 157445205

IUPACbenzyl-dimethyl-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1
InChIInChI=1S/C24H44P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(2,3)23-24-20-17-16-18-21-24/h16-18,20-21H,4-15,19,22-23H2,1-3H3/q+1
InChIKeyBSDGSCMYNFUQKO-UHFFFAOYSA-N
MW363.59 g/mol
LogP8.56
Rot. Bonds16

About benzyl-dimethyl-pentadecylphosphanium

benzyl-dimethyl-pentadecylphosphanium (PubChem CID 157445205) has the molecular formula C24H44P+ and a molecular weight of 363.59 g/mol. Its IUPAC name is benzyl-dimethyl-pentadecylphosphanium.

Molecular Properties

Compound Namebenzyl-dimethyl-pentadecylphosphanium
PubChem CID157445205
Molecular FormulaC24H44P+
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC Namebenzyl-dimethyl-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1
InChIInChI=1S/C24H44P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(2,3)23-24-20-17-16-18-21-24/h16-18,20-21H,4-15,19,22-23H2,1-3H3/q+1
InChIKeyBSDGSCMYNFUQKO-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 58.56
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

benzyl-decyl-dimethylphosphanium chloride
CID 67153395
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
dibenzyl(didecyl)phosphanium
CID 69307785
tribenzyl(decyl)phosphanium iodide
CID 69307604
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
dibenzyl-hexyl-propylphosphanium
CID 175204053
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-benzyltetradecylbenzene
CID 22920205
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-pentadecylphosphanium?
The IUPAC name of benzyl-dimethyl-pentadecylphosphanium (CID 157445205) is benzyl-dimethyl-pentadecylphosphanium.
What is the SMILES notation for benzyl-dimethyl-pentadecylphosphanium?
The canonical SMILES for benzyl-dimethyl-pentadecylphosphanium is CCCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-pentadecylphosphanium?
The InChIKey is BSDGSCMYNFUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(2,3)23-24-20-17-16-18-21-24/h16-18,20-21H,4-15,19,22-23H2,1-3H3/q+1.
What are the key properties of benzyl-dimethyl-pentadecylphosphanium?
benzyl-dimethyl-pentadecylphosphanium has a molecular weight of 363.59 g/mol, XLogP of 8.56, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-pentadecylphosphanium is sourced from PubChem (CID 157445205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).