(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium

C13H20P+ — CID 23413587

IUPAC(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium
SMILESC[C@@H]1C[P+](C)(c2ccccc2)C1(C)C
InChIInChI=1S/C13H20P/c1-11-10-14(4,13(11,2)3)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-,14?/m1/s1
InChIKeyRPLIASANZKDDQX-YNODCEANSA-N
MW207.28 g/mol
LogP3.39
Rot. Bonds1

About (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium

(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium (PubChem CID 23413587) has the molecular formula C13H20P+ and a molecular weight of 207.28 g/mol. Its IUPAC name is (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium.

Molecular Properties

Compound Name(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium
PubChem CID23413587
Molecular FormulaC13H20P+
Molecular Weight207.28 g/mol
Exact Mass207.13
IUPAC Name(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium
SMILESC[C@@H]1C[P+](C)(c2ccccc2)C1(C)C
InChIInChI=1S/C13H20P/c1-11-10-14(4,13(11,2)3)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-,14?/m1/s1
InChIKeyRPLIASANZKDDQX-YNODCEANSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.39
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

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CID 4220919
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CID 100931572
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
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CID 121227035
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CID 144627075
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
CID 5111887
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CID 102398914
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
CID 10935558

Frequently Asked Questions

What is the IUPAC name of (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium?
The IUPAC name of (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium (CID 23413587) is (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium.
What is the SMILES notation for (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium?
The canonical SMILES for (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium is C[C@@H]1C[P+](C)(c2ccccc2)C1(C)C.
What is the InChIKey of (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium?
The InChIKey is RPLIASANZKDDQX-YNODCEANSA-N. The full InChI is InChI=1S/C13H20P/c1-11-10-14(4,13(11,2)3)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1/t11-,14?/m1/s1.
What are the key properties of (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium?
(3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium has a molecular weight of 207.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,2,2,3-tetramethyl-1-phenylphosphetan-1-ium is sourced from PubChem (CID 23413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).