tricyclohexyl(methyl)phosphanium chloride

C19H36ClP — CID 19001088

IUPACtricyclohexyl(methyl)phosphanium chloride
SMILESC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H36P.ClH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h17-19H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyIDDPMGFMKAMYSE-UHFFFAOYSA-M
MW330.92 g/mol
LogP3.64
Rot. Bonds3

About tricyclohexyl(methyl)phosphanium chloride

tricyclohexyl(methyl)phosphanium chloride (PubChem CID 19001088) has the molecular formula C19H36ClP and a molecular weight of 330.92 g/mol. Its IUPAC name is tricyclohexyl(methyl)phosphanium chloride.

Molecular Properties

Compound Nametricyclohexyl(methyl)phosphanium chloride
PubChem CID19001088
Molecular FormulaC19H36ClP
Molecular Weight330.92 g/mol
Exact Mass330.22
IUPAC Nametricyclohexyl(methyl)phosphanium chloride
SMILESC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H36P.ClH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h17-19H,2-16H2,1H3;1H/q+1;/p-1
InChIKeyIDDPMGFMKAMYSE-UHFFFAOYSA-M
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.92
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclohexyl(methyl)phosphanium chloride?
The IUPAC name of tricyclohexyl(methyl)phosphanium chloride (CID 19001088) is tricyclohexyl(methyl)phosphanium chloride.
What is the SMILES notation for tricyclohexyl(methyl)phosphanium chloride?
The canonical SMILES for tricyclohexyl(methyl)phosphanium chloride is C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-].
What is the InChIKey of tricyclohexyl(methyl)phosphanium chloride?
The InChIKey is IDDPMGFMKAMYSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H36P.ClH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h17-19H,2-16H2,1H3;1H/q+1;/p-1.
What are the key properties of tricyclohexyl(methyl)phosphanium chloride?
tricyclohexyl(methyl)phosphanium chloride has a molecular weight of 330.92 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl(methyl)phosphanium chloride is sourced from PubChem (CID 19001088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).