2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone

C14H25O4PSi2 — CID 12671866

IUPAC2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
SMILESC[Si](C)(C)OP(=O)(CC(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H25O4PSi2/c1-20(2,3)17-19(16,18-21(4,5)6)12-14(15)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyJAVQSXAFYXUCHP-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.77
Rot. Bonds7

About 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone

2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone (PubChem CID 12671866) has the molecular formula C14H25O4PSi2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone.

Molecular Properties

Compound Name2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
PubChem CID12671866
Molecular FormulaC14H25O4PSi2
Molecular Weight344.50 g/mol
Exact Mass344.10
IUPAC Name2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone
SMILESC[Si](C)(C)OP(=O)(CC(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C14H25O4PSi2/c1-20(2,3)17-19(16,18-21(4,5)6)12-14(15)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyJAVQSXAFYXUCHP-UHFFFAOYSA-N
XLogP4.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethylphosphoryl-1-phenylethanone
CID 555432
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
2-[bis(hydroxymethyl)phosphoryl]-1-phenylethanone
CID 71357134
sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
3-methoxy-1-phenylpropan-1-one
CID 10942788
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1-phenyl(111C)propan-1-one
CID 11159350
2-dimethoxyphosphoryl-1-(4-fluorophenyl)ethanone
CID 11149268
methyl phenacyl hydrogen phosphate
CID 151367675
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone?
The IUPAC name of 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone (CID 12671866) is 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone.
What is the SMILES notation for 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone?
The canonical SMILES for 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone is C[Si](C)(C)OP(=O)(CC(=O)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone?
The InChIKey is JAVQSXAFYXUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4PSi2/c1-20(2,3)17-19(16,18-21(4,5)6)12-14(15)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3.
What are the key properties of 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone?
2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone has a molecular weight of 344.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(trimethylsilyloxy)phosphoryl-1-phenylethanone is sourced from PubChem (CID 12671866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).