methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate

C30H44O6Si2 — CID 46899489

IUPACmethyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate
SMILESCOC(=O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C30H44O6Si2/c1-29(2,3)37(8,9)35-22-20-25(34-26(31)21-22)27(28(32)33-7)36-38(30(4,5)6,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25,27H,20-21H2,1-9H3/t22-,25+,27-/m0/s1
InChIKeyUOBJIAWAAMIZEA-RWUBSVTLSA-N
MW556.85 g/mol
LogP5.20
Rot. Bonds8

About methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate

methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate (PubChem CID 46899489) has the molecular formula C30H44O6Si2 and a molecular weight of 556.85 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate
PubChem CID46899489
Molecular FormulaC30H44O6Si2
Molecular Weight556.85 g/mol
Exact Mass556.27
IUPAC Namemethyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate
SMILESCOC(=O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C30H44O6Si2/c1-29(2,3)37(8,9)35-22-20-25(34-26(31)21-22)27(28(32)33-7)36-38(30(4,5)6,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25,27H,20-21H2,1-9H3/t22-,25+,27-/m0/s1
InChIKeyUOBJIAWAAMIZEA-RWUBSVTLSA-N
XLogP5.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.85
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2S,4R)-4-(methylamino)pyrrolidin-2-yl]acetate
CID 69334111
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
4-amino-1-[(2R,3R,5S)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-oxopropyl]-3-fluorooxolan-2-yl]pyrimidin-2-one
CID 18345846
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,4R,6R)-4,6-dimethoxyoxan-2-yl]acetaldehyde
CID 70677506

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate?
The IUPAC name of methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate (CID 46899489) is methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate.
What is the SMILES notation for methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate?
The canonical SMILES for methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate is COC(=O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate?
The InChIKey is UOBJIAWAAMIZEA-RWUBSVTLSA-N. The full InChI is InChI=1S/C30H44O6Si2/c1-29(2,3)37(8,9)35-22-20-25(34-26(31)21-22)27(28(32)33-7)36-38(30(4,5)6,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,22,25,27H,20-21H2,1-9H3/t22-,25+,27-/m0/s1.
What are the key properties of methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate?
methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate has a molecular weight of 556.85 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyacetate is sourced from PubChem (CID 46899489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).