4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one

C11H20ClO6PSi — CID 11024339

IUPAC4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one
SMILESCCOP(=O)(OCC)C1=C(Cl)C(=O)OC1O[Si](C)(C)C
InChIInChI=1S/C11H20ClO6PSi/c1-6-15-19(14,16-7-2)9-8(12)10(13)17-11(9)18-20(3,4)5/h11H,6-7H2,1-5H3
InChIKeyCQJRMRJSRCBTMJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.44
Rot. Bonds7

About 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one

4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one (PubChem CID 11024339) has the molecular formula C11H20ClO6PSi and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one
PubChem CID11024339
Molecular FormulaC11H20ClO6PSi
Molecular Weight342.79 g/mol
Exact Mass342.05
IUPAC Name4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one
SMILESCCOP(=O)(OCC)C1=C(Cl)C(=O)OC1O[Si](C)(C)C
InChIInChI=1S/C11H20ClO6PSi/c1-6-15-19(14,16-7-2)9-8(12)10(13)17-11(9)18-20(3,4)5/h11H,6-7H2,1-5H3
InChIKeyCQJRMRJSRCBTMJ-UHFFFAOYSA-N
XLogP3.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
CID 102131380
4-chloro-3-diethoxyphosphoryl-5-(hydroxymethyl)-5-methylfuran-2-one
CID 134996334
5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
1-diethoxyphosphoryl-1-phenyl-N-trimethylsilyloxybutan-2-imine oxide
CID 10249622
2,6-dichloro-3-diethoxyphosphorylpyridine
CID 166610023
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692
1-bromo-2-chloro-4-diethoxyphosphorylbenzene
CID 166609988
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
CID 2773704
4-chloro-2-ethoxy-3-(2-methylanilino)-2H-furan-5-one
CID 12005154
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one?
The IUPAC name of 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one (CID 11024339) is 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one.
What is the SMILES notation for 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one?
The canonical SMILES for 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one is CCOP(=O)(OCC)C1=C(Cl)C(=O)OC1O[Si](C)(C)C.
What is the InChIKey of 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one?
The InChIKey is CQJRMRJSRCBTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClO6PSi/c1-6-15-19(14,16-7-2)9-8(12)10(13)17-11(9)18-20(3,4)5/h11H,6-7H2,1-5H3.
What are the key properties of 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one?
4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one has a molecular weight of 342.79 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-diethoxyphosphoryl-2-trimethylsilyloxy-2H-furan-5-one is sourced from PubChem (CID 11024339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).