diphenylphosphinoselenoyl 2,2-dimethylpropanoate

C17H19O2PSe — CID 102161033

IUPACdiphenylphosphinoselenoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2PSe/c1-17(2,3)16(18)19-20(21,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyUEGIWEZBRZDUJP-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.24
Rot. Bonds3

About diphenylphosphinoselenoyl 2,2-dimethylpropanoate

diphenylphosphinoselenoyl 2,2-dimethylpropanoate (PubChem CID 102161033) has the molecular formula C17H19O2PSe and a molecular weight of 365.27 g/mol. Its IUPAC name is diphenylphosphinoselenoyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namediphenylphosphinoselenoyl 2,2-dimethylpropanoate
PubChem CID102161033
Molecular FormulaC17H19O2PSe
Molecular Weight365.27 g/mol
Exact Mass366.03
IUPAC Namediphenylphosphinoselenoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2PSe/c1-17(2,3)16(18)19-20(21,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyUEGIWEZBRZDUJP-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diphenylphosphinoselenoyl 2,2-dimethylpropanoate 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

[diphenylphosphoryl(methylsulfonyl)amino] 2,2-dimethylpropanoate
CID 174746067
1-O-diphenylphosphinoselenoyl 2-O,5-O-dimethyl (2R,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 10553240
CID 132534450
CID 132534450
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
(4-phenylanilino) 2,2-dimethylpropanoate
CID 15049499
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
[3-[3-(2,2-dimethylpropanoyloxy)-2-diphenylphosphoryl-6-methoxyphenyl]-2-diphenylphosphoryl-4-methoxyphenyl] 2,2-dimethylpropanoate
CID 11251395
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
diphenylphosphoryl 4-tert-butylbenzoate
CID 150039694
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
2-diphenylphosphoryloxyethyl 2,2-dimethylbutanoate
CID 164525001
[benzyl(pent-4-enyl)amino] 2,2-dimethylpropanoate
CID 163239330

Frequently Asked Questions

What is the IUPAC name of diphenylphosphinoselenoyl 2,2-dimethylpropanoate?
The IUPAC name of diphenylphosphinoselenoyl 2,2-dimethylpropanoate (CID 102161033) is diphenylphosphinoselenoyl 2,2-dimethylpropanoate.
What is the SMILES notation for diphenylphosphinoselenoyl 2,2-dimethylpropanoate?
The canonical SMILES for diphenylphosphinoselenoyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OP(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphinoselenoyl 2,2-dimethylpropanoate?
The InChIKey is UEGIWEZBRZDUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2PSe/c1-17(2,3)16(18)19-20(21,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of diphenylphosphinoselenoyl 2,2-dimethylpropanoate?
diphenylphosphinoselenoyl 2,2-dimethylpropanoate has a molecular weight of 365.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinoselenoyl 2,2-dimethylpropanoate is sourced from PubChem (CID 102161033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).