benzyl-dimethyl-tetradecylphosphanium bromide

C23H42BrP — CID 69306168

IUPACbenzyl-dimethyl-tetradecylphosphanium bromide
SMILESCCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Br-]
InChIInChI=1S/C23H42P.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKeyDIGSBTLBGIPKBT-UHFFFAOYSA-M
MW429.47 g/mol
LogP5.17
Rot. Bonds15

About benzyl-dimethyl-tetradecylphosphanium bromide

benzyl-dimethyl-tetradecylphosphanium bromide (PubChem CID 69306168) has the molecular formula C23H42BrP and a molecular weight of 429.47 g/mol. Its IUPAC name is benzyl-dimethyl-tetradecylphosphanium bromide.

Molecular Properties

Compound Namebenzyl-dimethyl-tetradecylphosphanium bromide
PubChem CID69306168
Molecular FormulaC23H42BrP
Molecular Weight429.47 g/mol
Exact Mass428.22
IUPAC Namebenzyl-dimethyl-tetradecylphosphanium bromide
SMILESCCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Br-]
InChIInChI=1S/C23H42P.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
InChIKeyDIGSBTLBGIPKBT-UHFFFAOYSA-M
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.17
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-dimethyl-pentadecylphosphanium
CID 157445205
benzyl-decyl-dimethylphosphanium chloride
CID 67153395
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
dibenzyl(didecyl)phosphanium
CID 69307785
tribenzyl(decyl)phosphanium iodide
CID 69307604
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-tetradecylphosphanium bromide?
The IUPAC name of benzyl-dimethyl-tetradecylphosphanium bromide (CID 69306168) is benzyl-dimethyl-tetradecylphosphanium bromide.
What is the SMILES notation for benzyl-dimethyl-tetradecylphosphanium bromide?
The canonical SMILES for benzyl-dimethyl-tetradecylphosphanium bromide is CCCCCCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl-dimethyl-tetradecylphosphanium bromide?
The InChIKey is DIGSBTLBGIPKBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H42P.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-dimethyl-tetradecylphosphanium bromide?
benzyl-dimethyl-tetradecylphosphanium bromide has a molecular weight of 429.47 g/mol, XLogP of 5.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-tetradecylphosphanium bromide is sourced from PubChem (CID 69306168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).