(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one

C24H50O4Si2 — CID 11236491

IUPAC(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESCC(C)[Si](O[C@H]1CC(=O)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si2/c1-17(2)30(18(3)4,19(5)6)28-20-14-21(27-22(25)15-20)24(10,11)16-26-29(12,13)23(7,8)9/h17-21H,14-16H2,1-13H3/t20-,21-/m1/s1
InChIKeyAKAYMVGLYNQMKB-NHCUHLMSSA-N
MW458.83 g/mol
LogP7.30
Rot. Bonds9

About (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one

(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one (PubChem CID 11236491) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one
PubChem CID11236491
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Name(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESCC(C)[Si](O[C@H]1CC(=O)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C24H50O4Si2/c1-17(2)30(18(3)4,19(5)6)28-20-14-21(27-22(25)15-20)24(10,11)16-26-29(12,13)23(7,8)9/h17-21H,14-16H2,1-13H3/t20-,21-/m1/s1
InChIKeyAKAYMVGLYNQMKB-NHCUHLMSSA-N
XLogP7.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 10950338
(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl-dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone
CID 10504502
[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-7-oxoheptyl] 2,2-dimethylpropanoate
CID 10620340
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyl-3-trimethylsilyloxetan-2-one
CID 10929596
ethyl (2S)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11353518
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
ethyl (2R)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11753319
2-[(2S,3S,4S,5R)-3,5-dimethyl-6-oxo-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 42600667
methyl (3R)-4-[(2S,4S,6S)-4-acetyloxy-6-methoxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 56590398
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 135012526
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one (CID 11236491) is (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one is CC(C)[Si](O[C@H]1CC(=O)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one?
The InChIKey is AKAYMVGLYNQMKB-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-17(2)30(18(3)4,19(5)6)28-20-14-21(27-22(25)15-20)24(10,11)16-26-29(12,13)23(7,8)9/h17-21H,14-16H2,1-13H3/t20-,21-/m1/s1.
What are the key properties of (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one?
(4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one has a molecular weight of 458.83 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-tri(propan-2-yl)silyloxyoxan-2-one is sourced from PubChem (CID 11236491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).