dimethyl-di(tetradecyl)phosphanium chloride

C30H64ClP — CID 21249616

IUPACdimethyl-di(tetradecyl)phosphanium chloride
SMILESCCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C30H64P.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyQJOPHPYYKNRHSE-UHFFFAOYSA-M
MW491.27 g/mol
LogP8.67
Rot. Bonds26

About dimethyl-di(tetradecyl)phosphanium chloride

dimethyl-di(tetradecyl)phosphanium chloride (PubChem CID 21249616) has the molecular formula C30H64ClP and a molecular weight of 491.27 g/mol. Its IUPAC name is dimethyl-di(tetradecyl)phosphanium chloride.

Molecular Properties

Compound Namedimethyl-di(tetradecyl)phosphanium chloride
PubChem CID21249616
Molecular FormulaC30H64ClP
Molecular Weight491.27 g/mol
Exact Mass490.44
IUPAC Namedimethyl-di(tetradecyl)phosphanium chloride
SMILESCCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C30H64P.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyQJOPHPYYKNRHSE-UHFFFAOYSA-M
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.27
LogP ≤ 58.67
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-di(tetradecyl)phosphanium chloride?
The IUPAC name of dimethyl-di(tetradecyl)phosphanium chloride (CID 21249616) is dimethyl-di(tetradecyl)phosphanium chloride.
What is the SMILES notation for dimethyl-di(tetradecyl)phosphanium chloride?
The canonical SMILES for dimethyl-di(tetradecyl)phosphanium chloride is CCCCCCCCCCCCCC[P+](C)(C)CCCCCCCCCCCCCC.[Cl-].
What is the InChIKey of dimethyl-di(tetradecyl)phosphanium chloride?
The InChIKey is QJOPHPYYKNRHSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H64P.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-di(tetradecyl)phosphanium chloride?
dimethyl-di(tetradecyl)phosphanium chloride has a molecular weight of 491.27 g/mol, XLogP of 8.67, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-di(tetradecyl)phosphanium chloride is sourced from PubChem (CID 21249616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).