(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one

C29H44O4Si2 — CID 134917633

IUPAC(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one
SMILESC[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H44O4Si2/c1-22-25(33-34(8,9)28(2,3)4)20-27(30)32-26(22)21-31-35(29(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25-26H,20-21H2,1-9H3/t22-,25-,26+/m1/s1
InChIKeyCUNLTEMDNYBQEN-RCXJIHSJSA-N
MW512.84 g/mol
LogP5.91
Rot. Bonds7

About (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one

(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one (PubChem CID 134917633) has the molecular formula C29H44O4Si2 and a molecular weight of 512.84 g/mol. Its IUPAC name is (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one
PubChem CID134917633
Molecular FormulaC29H44O4Si2
Molecular Weight512.84 g/mol
Exact Mass512.28
IUPAC Name(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one
SMILESC[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H44O4Si2/c1-22-25(33-34(8,9)28(2,3)4)20-27(30)32-26(22)21-31-35(29(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25-26H,20-21H2,1-9H3/t22-,25-,26+/m1/s1
InChIKeyCUNLTEMDNYBQEN-RCXJIHSJSA-N
XLogP5.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one?
The IUPAC name of (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one (CID 134917633) is (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one.
What is the SMILES notation for (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one?
The canonical SMILES for (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one is C[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one?
The InChIKey is CUNLTEMDNYBQEN-RCXJIHSJSA-N. The full InChI is InChI=1S/C29H44O4Si2/c1-22-25(33-34(8,9)28(2,3)4)20-27(30)32-26(22)21-31-35(29(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25-26H,20-21H2,1-9H3/t22-,25-,26+/m1/s1.
What are the key properties of (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one?
(4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one has a molecular weight of 512.84 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-2-one is sourced from PubChem (CID 134917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).