methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium

C20H22P+ — CID 144740709

IUPACmethyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
SMILESCC1C=C([P+](C)(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C20H22P/c1-17-10-9-15-20(16-17)21(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-17H,10H2,1-2H3/q+1
InChIKeyMMBHUNZTTPANBY-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.76
Rot. Bonds3

About methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium

methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium (PubChem CID 144740709) has the molecular formula C20H22P+ and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium.

Molecular Properties

Compound Namemethyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
PubChem CID144740709
Molecular FormulaC20H22P+
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namemethyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
SMILESCC1C=C([P+](C)(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C20H22P/c1-17-10-9-15-20(16-17)21(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-17H,10H2,1-2H3/q+1
InChIKeyMMBHUNZTTPANBY-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium
CID 155223560
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
CID 118629545
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
5-methyl-10-(3-methylcyclohexa-1,5-dien-1-yl)phenazine
CID 145186541
bis(methyl(triphenyl)phosphanium) ditriiodide
CID 139175136
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633
2-methyl-4-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-phenylpyrimidine
CID 138636136
2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane
CID 163459328

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium?
The IUPAC name of methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium (CID 144740709) is methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium.
What is the SMILES notation for methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium?
The canonical SMILES for methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium is CC1C=C([P+](C)(c2ccccc2)c2ccccc2)C=CC1.
What is the InChIKey of methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium?
The InChIKey is MMBHUNZTTPANBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22P/c1-17-10-9-15-20(16-17)21(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-9,11-17H,10H2,1-2H3/q+1.
What are the key properties of methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium?
methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium has a molecular weight of 293.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium is sourced from PubChem (CID 144740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).