2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one

C22H31O3PSi — CID 67903687

IUPAC2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one
SMILESCC(C)CP(=O)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C22H31O3PSi/c1-18(2)17-26(24,21(23)22(3,4)5)25-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3
InChIKeyCOTHZTMNMQKFOA-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.90
Rot. Bonds7

About 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one

2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one (PubChem CID 67903687) has the molecular formula C22H31O3PSi and a molecular weight of 402.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one
PubChem CID67903687
Molecular FormulaC22H31O3PSi
Molecular Weight402.55 g/mol
Exact Mass402.18
IUPAC Name2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one
SMILESCC(C)CP(=O)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C22H31O3PSi/c1-18(2)17-26(24,21(23)22(3,4)5)25-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3
InChIKeyCOTHZTMNMQKFOA-UHFFFAOYSA-N
XLogP4.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl(phenyl)phosphinic acid
CID 793404
1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate
CID 66869772
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
CID 10021049
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
5-hydroxy-2-methyl-1-[methyl(diphenyl)silyl]oxyhexan-3-one
CID 538388
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
propan-2-yl 2-[methyl(diphenyl)silyl]acetate
CID 13197434
methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-[chloro(methyl)phosphoryl]butanoate
CID 14750058
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one (CID 67903687) is 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one is CC(C)CP(=O)(O[Si](C)(c1ccccc1)c1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one?
The InChIKey is COTHZTMNMQKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31O3PSi/c1-18(2)17-26(24,21(23)22(3,4)5)25-27(6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,17H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one?
2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one has a molecular weight of 402.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[[methyl(diphenyl)silyl]oxy-(2-methylpropyl)phosphoryl]propan-1-one is sourced from PubChem (CID 67903687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).