6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one

C22H26O4Si — CID 15327231

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H26O4Si/c1-21(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-20-16-19(23)24-22(4,5)25-20/h6-16H,1-5H3
InChIKeyUKLJVFCQYZFUCY-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.71
Rot. Bonds4

About 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one

6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 15327231) has the molecular formula C22H26O4Si and a molecular weight of 382.53 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID15327231
Molecular FormulaC22H26O4Si
Molecular Weight382.53 g/mol
Exact Mass382.16
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H26O4Si/c1-21(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-20-16-19(23)24-22(4,5)25-20/h6-16H,1-5H3
InChIKeyUKLJVFCQYZFUCY-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.71
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

(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
5-[[2-[tert-butyl(diphenyl)silyl]oxy-3-methoxyphenyl]methyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 11421246
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11283769
6-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5-dimethylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 16750622
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 15674842
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-2H-furan-5-one
CID 161197599
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
8-[tert-butyl(diphenyl)silyl]oxy-4H-1,4-benzoxazin-3-one
CID 140959904

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one (CID 15327231) is 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is UKLJVFCQYZFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4Si/c1-21(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)26-20-16-19(23)24-22(4,5)25-20/h6-16H,1-5H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one?
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 382.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 15327231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).