2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one

C12H23O4PSi — CID 102131380

IUPAC2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
SMILESCCOP(=O)(OCC)C1=C([Si](C)(C)C)CCC1=O
InChIInChI=1S/C12H23O4PSi/c1-6-15-17(14,16-7-2)12-10(13)8-9-11(12)18(3,4)5/h6-9H2,1-5H3
InChIKeyPNPDCUTVUANCQJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.75
Rot. Bonds6

About 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one

2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one (PubChem CID 102131380) has the molecular formula C12H23O4PSi and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
PubChem CID102131380
Molecular FormulaC12H23O4PSi
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Name2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
SMILESCCOP(=O)(OCC)C1=C([Si](C)(C)C)CCC1=O
InChIInChI=1S/C12H23O4PSi/c1-6-15-17(14,16-7-2)12-10(13)8-9-11(12)18(3,4)5/h6-9H2,1-5H3
InChIKeyPNPDCUTVUANCQJ-UHFFFAOYSA-N
XLogP3.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.75
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-diethoxyphosphoryl-3-octylcyclopent-2-en-1-one
CID 102131373
2-diethoxyphosphoryl-3-(2-phenylmethoxyethyl)cyclopent-2-en-1-one
CID 102131378
2-diethoxyphosphoryl-3-(5-phenylmethoxypentyl)cyclopent-2-en-1-one
CID 102131379
(3S,6aS)-4-diethoxyphosphoryl-3-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 25213378
(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)-trimethylsilane
CID 10783383
barium(2+);ethyl phosphate
CID 12691393
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
4-chloro-3-diethoxyphosphoryl-5-(hydroxymethyl)-5-methylfuran-2-one
CID 134996334
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
CID 2773704
(Z)-(2-diethoxyphosphoryl-3-trimethylsilylcyclopenta-2,4-dien-1-ylidene)-[di(propan-2-yl)amino]methanolate
CID 164682108

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one (CID 102131380) is 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one is CCOP(=O)(OCC)C1=C([Si](C)(C)C)CCC1=O.
What is the InChIKey of 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is PNPDCUTVUANCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O4PSi/c1-6-15-17(14,16-7-2)12-10(13)8-9-11(12)18(3,4)5/h6-9H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one?
2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 290.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 102131380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).