1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one

C49H66O7Si2 — CID 10974870

IUPAC1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one
SMILESCC1(C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C49H66O7Si2/c1-46(2,3)57(42-23-15-11-16-24-42,43-25-17-12-18-26-43)51-35-40-33-38(53-48(7,8)55-40)31-37(50)32-39-34-41(56-49(9,10)54-39)36-52-58(47(4,5)6,44-27-19-13-20-28-44)45-29-21-14-22-30-45/h11-30,38-41H,31-36H2,1-10H3/t38-,39+,40-,41-/m0/s1
InChIKeyVDGWDOABRAKGLF-XRFUAQTBSA-N
MW823.23 g/mol
LogP8.31
Rot. Bonds14

About 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one

1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one (PubChem CID 10974870) has the molecular formula C49H66O7Si2 and a molecular weight of 823.23 g/mol. Its IUPAC name is 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one
PubChem CID10974870
Molecular FormulaC49H66O7Si2
Molecular Weight823.23 g/mol
Exact Mass822.43
IUPAC Name1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one
SMILESCC1(C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C49H66O7Si2/c1-46(2,3)57(42-23-15-11-16-24-42,43-25-17-12-18-26-43)51-35-40-33-38(53-48(7,8)55-40)31-37(50)32-39-34-41(56-49(9,10)54-39)36-52-58(47(4,5)6,44-27-19-13-20-28-44)45-29-21-14-22-30-45/h11-30,38-41H,31-36H2,1-10H3/t38-,39+,40-,41-/m0/s1
InChIKeyVDGWDOABRAKGLF-XRFUAQTBSA-N
XLogP8.31
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.23
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one?
The IUPAC name of 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one (CID 10974870) is 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one?
The canonical SMILES for 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one is CC1(C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC(=O)C[C@H]2C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C)(C)O2)O1.
What is the InChIKey of 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one?
The InChIKey is VDGWDOABRAKGLF-XRFUAQTBSA-N. The full InChI is InChI=1S/C49H66O7Si2/c1-46(2,3)57(42-23-15-11-16-24-42,43-25-17-12-18-26-43)51-35-40-33-38(53-48(7,8)55-40)31-37(50)32-39-34-41(56-49(9,10)54-39)36-52-58(47(4,5)6,44-27-19-13-20-28-44)45-29-21-14-22-30-45/h11-30,38-41H,31-36H2,1-10H3/t38-,39+,40-,41-/m0/s1.
What are the key properties of 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one?
1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one has a molecular weight of 823.23 g/mol, XLogP of 8.31, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one is sourced from PubChem (CID 10974870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).