5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C30H34O6Si — CID 11283769

IUPAC5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(CC2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C30H34O6Si/c1-29(2,3)37(23-13-9-7-10-14-23,24-15-11-8-12-16-24)36-26-18-17-22(33-6)19-21(26)20-25-27(31)34-30(4,5)35-28(25)32/h7-19,25H,20H2,1-6H3
InChIKeyYVCKHMIDBCOBGU-UHFFFAOYSA-N
MW518.68 g/mol
LogP4.63
Rot. Bonds7

About 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 11283769) has the molecular formula C30H34O6Si and a molecular weight of 518.68 g/mol. Its IUPAC name is 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID11283769
Molecular FormulaC30H34O6Si
Molecular Weight518.68 g/mol
Exact Mass518.21
IUPAC Name5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(CC2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C30H34O6Si/c1-29(2,3)37(23-13-9-7-10-14-23,24-15-11-8-12-16-24)36-26-18-17-22(33-6)19-21(26)20-25-27(31)34-30(4,5)35-28(25)32/h7-19,25H,20H2,1-6H3
InChIKeyYVCKHMIDBCOBGU-UHFFFAOYSA-N
XLogP4.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.68
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

5-[[2-[tert-butyl(diphenyl)silyl]oxy-3-methoxyphenyl]methyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 11421246
6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-1,3-dioxin-4-one
CID 15327231
3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
CID 44515131
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
tert-butyl-[(6-methoxy-3-methyl-9H-carbazol-2-yl)oxy]-diphenylsilane
CID 44515132
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 10696962
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
tert-butyl (1R,5R,7R)-7-[4-[tert-butyl(diphenyl)silyl]oxy-3-methoxyphenyl]-2-oxo-8-oxabicyclo[3.2.1]octane-1-carboxylate
CID 46930478

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 11283769) is 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(CC2C(=O)OC(C)(C)OC2=O)c1.
What is the InChIKey of 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is YVCKHMIDBCOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6Si/c1-29(2,3)37(23-13-9-7-10-14-23,24-15-11-8-12-16-24)36-26-18-17-22(33-6)19-21(26)20-25-27(31)34-30(4,5)35-28(25)32/h7-19,25H,20H2,1-6H3.
What are the key properties of 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 518.68 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 11283769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).