5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one

C12H24O4Si2 — CID 101261490

IUPAC5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one
SMILESC[Si](C)(C)OCC1CC(=O)C(O[Si](C)(C)C)=CO1
InChIInChI=1S/C12H24O4Si2/c1-17(2,3)15-8-10-7-11(13)12(9-14-10)16-18(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyXRDXPKPOJKPDAP-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.89
Rot. Bonds5

About 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one

5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one (PubChem CID 101261490) has the molecular formula C12H24O4Si2 and a molecular weight of 288.49 g/mol. Its IUPAC name is 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one
PubChem CID101261490
Molecular FormulaC12H24O4Si2
Molecular Weight288.49 g/mol
Exact Mass288.12
IUPAC Name5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one
SMILESC[Si](C)(C)OCC1CC(=O)C(O[Si](C)(C)C)=CO1
InChIInChI=1S/C12H24O4Si2/c1-17(2,3)15-8-10-7-11(13)12(9-14-10)16-18(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyXRDXPKPOJKPDAP-UHFFFAOYSA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl)methyl benzoate
CID 71439554
[(2S)-5-benzoyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl benzoate
CID 170851440
(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
CID 130736036
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
trimethyl-[(6-methylmorpholin-2-yl)methoxy]silane
CID 102633580
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
5-methyl-1-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90912443
(4,7-dimethyl-3H-inden-1-yl)oxy-trimethylsilane
CID 102338034
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
(3,6-dimethyl-2-trimethylsilyloxyphenoxy)-trimethylsilane
CID 153432726
(3S,4R,5R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-3-methyl-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 169299268

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one (CID 101261490) is 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one is C[Si](C)(C)OCC1CC(=O)C(O[Si](C)(C)C)=CO1.
What is the InChIKey of 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one?
The InChIKey is XRDXPKPOJKPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si2/c1-17(2,3)15-8-10-7-11(13)12(9-14-10)16-18(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one?
5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one has a molecular weight of 288.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 101261490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).