1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium

C17H21O2P2+ — CID 158642477

IUPAC1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
SMILESCC(C)(C)C(=O)P(c1ccccc1)c1ccccc1.O=[PH2+]
InChIInChI=1S/C17H19OP.H2OP/c1-17(2,3)16(18)19(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13H,1-3H3;2H2/q;+1
InChIKeyFTSGVHXCKDKTOP-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.90
Rot. Bonds3

About 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium

1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium (PubChem CID 158642477) has the molecular formula C17H21O2P2+ and a molecular weight of 319.30 g/mol. Its IUPAC name is 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium.

Molecular Properties

Compound Name1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
PubChem CID158642477
Molecular FormulaC17H21O2P2+
Molecular Weight319.30 g/mol
Exact Mass319.10
IUPAC Name1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
SMILESCC(C)(C)C(=O)P(c1ccccc1)c1ccccc1.O=[PH2+]
InChIInChI=1S/C17H19OP.H2OP/c1-17(2,3)16(18)19(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13H,1-3H3;2H2/q;+1
InChIKeyFTSGVHXCKDKTOP-UHFFFAOYSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-1-diphenylphosphanylethanone
CID 12909111
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
2,2-dimethylpropane;triphenylphosphane
CID 143924519
acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
CID 23229150
1-diphenylphosphanyl-2,2-difluoroethanone
CID 23414438
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
1-diphenylphosphanylethane-1,1-diol
CID 151023834
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
propan-2-one;triphenylphosphane;hydrate
CID 118484852
diphenylphosphanyl-(2-methylsulfonylphenyl)methanone
CID 12576801
1,7-bis(diphenylphosphanyl)heptane-1,7-dione
CID 13144223
palladium(2+);triphenylphosphane;diacetate
CID 11554889

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium?
The IUPAC name of 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium (CID 158642477) is 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium.
What is the SMILES notation for 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium?
The canonical SMILES for 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium is CC(C)(C)C(=O)P(c1ccccc1)c1ccccc1.O=[PH2+].
What is the InChIKey of 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium?
The InChIKey is FTSGVHXCKDKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19OP.H2OP/c1-17(2,3)16(18)19(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13H,1-3H3;2H2/q;+1.
What are the key properties of 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium?
1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium has a molecular weight of 319.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium is sourced from PubChem (CID 158642477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).