[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate

C36H80O7Si5 — CID 553781

IUPAC[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H80O7Si5/c1-32(2,3)44(16,17)39-26-27(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)31(43-48(24,25)36(13,14)15)38-28(26)30(37)42-47(22,23)35(10,11)12/h26-29,31H,1-25H3
InChIKeyCPLPYBCSNYKKAI-UHFFFAOYSA-N
MW765.46 g/mol
LogP11.45
Rot. Bonds10

About [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate

[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate (PubChem CID 553781) has the molecular formula C36H80O7Si5 and a molecular weight of 765.46 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate
PubChem CID553781
Molecular FormulaC36H80O7Si5
Molecular Weight765.46 g/mol
Exact Mass764.48
IUPAC Name[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H80O7Si5/c1-32(2,3)44(16,17)39-26-27(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)31(43-48(24,25)36(13,14)15)38-28(26)30(37)42-47(22,23)35(10,11)12/h26-29,31H,1-25H3
InChIKeyCPLPYBCSNYKKAI-UHFFFAOYSA-N
XLogP11.45
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.46
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate with MolForge

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Methyl glucuronide, TMS
CID 609395
D(+)-Turanose, TMS
CID 22296522
methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 10991203
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 134842430
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate (CID 553781) is [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate?
The InChIKey is CPLPYBCSNYKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H80O7Si5/c1-32(2,3)44(16,17)39-26-27(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)31(43-48(24,25)36(13,14)15)38-28(26)30(37)42-47(22,23)35(10,11)12/h26-29,31H,1-25H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate?
[tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate has a molecular weight of 765.46 g/mol, XLogP of 11.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxane-2-carboxylate is sourced from PubChem (CID 553781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).