trimethyl(tetradecyl)phosphanium chloride

C17H38ClP — CID 3036617

IUPACtrimethyl(tetradecyl)phosphanium chloride
SMILESCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyKDNBFSGJXLQPKZ-UHFFFAOYSA-M
MW308.92 g/mol
LogP3.60
Rot. Bonds13

About trimethyl(tetradecyl)phosphanium chloride

trimethyl(tetradecyl)phosphanium chloride (PubChem CID 3036617) has the molecular formula C17H38ClP and a molecular weight of 308.92 g/mol. Its IUPAC name is trimethyl(tetradecyl)phosphanium chloride.

Molecular Properties

Compound Nametrimethyl(tetradecyl)phosphanium chloride
PubChem CID3036617
Molecular FormulaC17H38ClP
Molecular Weight308.92 g/mol
Exact Mass308.24
IUPAC Nametrimethyl(tetradecyl)phosphanium chloride
SMILESCCCCCCCCCCCCCC[P+](C)(C)C.[Cl-]
InChIInChI=1S/C17H38P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyKDNBFSGJXLQPKZ-UHFFFAOYSA-M
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.92
LogP ≤ 53.60
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 trimethyl(tetradecyl)phosphanium chloride?
The IUPAC name of trimethyl(tetradecyl)phosphanium chloride (CID 3036617) is trimethyl(tetradecyl)phosphanium chloride.
What is the SMILES notation for trimethyl(tetradecyl)phosphanium chloride?
The canonical SMILES for trimethyl(tetradecyl)phosphanium chloride is CCCCCCCCCCCCCC[P+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(tetradecyl)phosphanium chloride?
The InChIKey is KDNBFSGJXLQPKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(tetradecyl)phosphanium chloride?
trimethyl(tetradecyl)phosphanium chloride has a molecular weight of 308.92 g/mol, XLogP of 3.60, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tetradecyl)phosphanium chloride is sourced from PubChem (CID 3036617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).