CID 66672385

C13H23AlClOP+ — CID 66672385

IUPAC—
SMILESCC[P+](CC)(CC)Cc1ccccc1.Cl.O=[Al]
InChIInChI=1S/C13H22P.Al.ClH.O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;;/h7-11H,4-6,12H2,1-3H3;;1H;/q+1;;;
InChIKeyNOKVASZHFNCLJB-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.19
Rot. Bonds5

About CID 66672385

CID 66672385 (PubChem CID 66672385) has the molecular formula C13H23AlClOP+ and a molecular weight of 288.73 g/mol.

Molecular Properties

Compound NameCID 66672385
PubChem CID66672385
Molecular FormulaC13H23AlClOP+
Molecular Weight288.73 g/mol
Exact Mass288.10
IUPAC Name—
SMILESCC[P+](CC)(CC)Cc1ccccc1.Cl.O=[Al]
InChIInChI=1S/C13H22P.Al.ClH.O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;;/h7-11H,4-6,12H2,1-3H3;;1H;/q+1;;;
InChIKeyNOKVASZHFNCLJB-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 66672385 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

tribenzyl(ethyl)phosphanium
CID 23415376
bis(benzyl(triethyl)phosphanium);hydron;phosphate
CID 173244140
benzyl(tripropyl)phosphanium bromide
CID 68744786
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
2-ethylbutylbenzene;methane
CID 158777195
dibenzyl-hexyl-propylphosphanium
CID 175204053
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
2-iodobutylbenzene
CID 11196235

Frequently Asked Questions

What is the IUPAC name of CID 66672385?
The IUPAC name of CID 66672385 (CID 66672385) is not available.
What is the SMILES notation for CID 66672385?
The canonical SMILES for CID 66672385 is CC[P+](CC)(CC)Cc1ccccc1.Cl.O=[Al].
What is the InChIKey of CID 66672385?
The InChIKey is NOKVASZHFNCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22P.Al.ClH.O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;;/h7-11H,4-6,12H2,1-3H3;;1H;/q+1;;;.
What are the key properties of CID 66672385?
CID 66672385 has a molecular weight of 288.73 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66672385 is sourced from PubChem (CID 66672385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).