benzyl-decyl-dimethylphosphanium chloride

C19H34ClP — CID 67153395

IUPACbenzyl-decyl-dimethylphosphanium chloride
SMILESCCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H34P.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMJEPQIMBGJKRMB-UHFFFAOYSA-M
MW328.91 g/mol
LogP3.61
Rot. Bonds11

About benzyl-decyl-dimethylphosphanium chloride

benzyl-decyl-dimethylphosphanium chloride (PubChem CID 67153395) has the molecular formula C19H34ClP and a molecular weight of 328.91 g/mol. Its IUPAC name is benzyl-decyl-dimethylphosphanium chloride.

Molecular Properties

Compound Namebenzyl-decyl-dimethylphosphanium chloride
PubChem CID67153395
Molecular FormulaC19H34ClP
Molecular Weight328.91 g/mol
Exact Mass328.21
IUPAC Namebenzyl-decyl-dimethylphosphanium chloride
SMILESCCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C19H34P.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKeyMJEPQIMBGJKRMB-UHFFFAOYSA-M
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.61
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 benzyl-decyl-dimethylphosphanium chloride 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

benzyl-dimethyl-pentadecylphosphanium
CID 157445205
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
tribenzyl(decyl)phosphanium iodide
CID 69307604
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
dibenzyl-hexyl-propylphosphanium
CID 175204053
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723

Frequently Asked Questions

What is the IUPAC name of benzyl-decyl-dimethylphosphanium chloride?
The IUPAC name of benzyl-decyl-dimethylphosphanium chloride (CID 67153395) is benzyl-decyl-dimethylphosphanium chloride.
What is the SMILES notation for benzyl-decyl-dimethylphosphanium chloride?
The canonical SMILES for benzyl-decyl-dimethylphosphanium chloride is CCCCCCCCCC[P+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-decyl-dimethylphosphanium chloride?
The InChIKey is MJEPQIMBGJKRMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34P.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-decyl-dimethylphosphanium chloride?
benzyl-decyl-dimethylphosphanium chloride has a molecular weight of 328.91 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-decyl-dimethylphosphanium chloride is sourced from PubChem (CID 67153395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).