methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate

C24H48O6Si2 — CID 23730193

IUPACmethyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H]([C@@H](C)CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-17(13-14-25)22-20(30-32(11,12)24(5,6)7)15-19(18(28-22)16-21(26)27-8)29-31(9,10)23(2,3)4/h14,17-20,22H,13,15-16H2,1-12H3/t17-,18+,19+,20-,22-/m0/s1
InChIKeyMBURBHBADWMHHK-MOFJNDHNSA-N
MW488.81 g/mol
LogP5.71
Rot. Bonds9

About methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate

methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate (PubChem CID 23730193) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate
PubChem CID23730193
Molecular FormulaC24H48O6Si2
Molecular Weight488.81 g/mol
Exact Mass488.30
IUPAC Namemethyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H]([C@@H](C)CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-17(13-14-25)22-20(30-32(11,12)24(5,6)7)15-19(18(28-22)16-21(26)27-8)29-31(9,10)23(2,3)4/h14,17-20,22H,13,15-16H2,1-12H3/t17-,18+,19+,20-,22-/m0/s1
InChIKeyMBURBHBADWMHHK-MOFJNDHNSA-N
XLogP5.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate (CID 23730193) is methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate is COC(=O)C[C@H]1O[C@@H]([C@@H](C)CC=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate?
The InChIKey is MBURBHBADWMHHK-MOFJNDHNSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-17(13-14-25)22-20(30-32(11,12)24(5,6)7)15-19(18(28-22)16-21(26)27-8)29-31(9,10)23(2,3)4/h14,17-20,22H,13,15-16H2,1-12H3/t17-,18+,19+,20-,22-/m0/s1.
What are the key properties of methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate?
methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate has a molecular weight of 488.81 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-4-oxobutan-2-yl]oxan-2-yl]acetate is sourced from PubChem (CID 23730193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).