1,3-dimethyl-1-phenylphospholan-1-ium

C12H18P+ — CID 4220919

IUPAC1,3-dimethyl-1-phenylphospholan-1-ium
SMILESCC1CC[P+](C)(c2ccccc2)C1
InChIInChI=1S/C12H18P/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/q+1
InChIKeyWVIYENADEFCUIN-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.00
Rot. Bonds1

About 1,3-dimethyl-1-phenylphospholan-1-ium

1,3-dimethyl-1-phenylphospholan-1-ium (PubChem CID 4220919) has the molecular formula C12H18P+ and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,3-dimethyl-1-phenylphospholan-1-ium.

Molecular Properties

Compound Name1,3-dimethyl-1-phenylphospholan-1-ium
PubChem CID4220919
Molecular FormulaC12H18P+
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1,3-dimethyl-1-phenylphospholan-1-ium
SMILESCC1CC[P+](C)(c2ccccc2)C1
InChIInChI=1S/C12H18P/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/q+1
InChIKeyWVIYENADEFCUIN-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.00
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

2-methyl-1,1,3,3-tetraphenyltriphosphepane-1,3-diium
CID 23421390
(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium
CID 23413587
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
1,1,3-trimethylphospholan-1-ium
CID 21436920
1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
cumene;4-methylpiperidine
CID 158684278
1-hydroxy-1-phenylphospholan-1-ium
CID 173085633
2-(chloromethyl)-1,1,3,3-tetraphenyltriphospholane-1,3-diium
CID 23415328
ethylbenzene;methylcyclobutane
CID 176989756
(2-methylcyclopentyl)benzene
CID 12600454
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
1,1,3,3-tetraphenyl-2H-1,3-benzodiphosphole-1,3-diium diiodide
CID 139150100

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-phenylphospholan-1-ium?
The IUPAC name of 1,3-dimethyl-1-phenylphospholan-1-ium (CID 4220919) is 1,3-dimethyl-1-phenylphospholan-1-ium.
What is the SMILES notation for 1,3-dimethyl-1-phenylphospholan-1-ium?
The canonical SMILES for 1,3-dimethyl-1-phenylphospholan-1-ium is CC1CC[P+](C)(c2ccccc2)C1.
What is the InChIKey of 1,3-dimethyl-1-phenylphospholan-1-ium?
The InChIKey is WVIYENADEFCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18P/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/q+1.
What are the key properties of 1,3-dimethyl-1-phenylphospholan-1-ium?
1,3-dimethyl-1-phenylphospholan-1-ium has a molecular weight of 193.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-phenylphospholan-1-ium is sourced from PubChem (CID 4220919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).