[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate

C25H32O6Si — CID 10072767

IUPAC[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](OC(C)=O)C(C)=O
InChIInChI=1S/C25H32O6Si/c1-18(26)24(31-20(3)28)23(30-19(2)27)17-29-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-24H,17H2,1-6H3/t23-,24+/m0/s1
InChIKeyVNTCFKPCGMTQAC-BJKOFHAPSA-N
MW456.61 g/mol
LogP3.02
Rot. Bonds9

About [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate

[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate (PubChem CID 10072767) has the molecular formula C25H32O6Si and a molecular weight of 456.61 g/mol. Its IUPAC name is [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
PubChem CID10072767
Molecular FormulaC25H32O6Si
Molecular Weight456.61 g/mol
Exact Mass456.20
IUPAC Name[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](OC(C)=O)C(C)=O
InChIInChI=1S/C25H32O6Si/c1-18(26)24(31-20(3)28)23(30-19(2)27)17-29-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-24H,17H2,1-6H3/t23-,24+/m0/s1
InChIKeyVNTCFKPCGMTQAC-BJKOFHAPSA-N
XLogP3.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739
(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoic acid
CID 69284121

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate (CID 10072767) is [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate is CC(=O)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](OC(C)=O)C(C)=O.
What is the InChIKey of [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate?
The InChIKey is VNTCFKPCGMTQAC-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H32O6Si/c1-18(26)24(31-20(3)28)23(30-19(2)27)17-29-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-24H,17H2,1-6H3/t23-,24+/m0/s1.
What are the key properties of [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate?
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate has a molecular weight of 456.61 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate is sourced from PubChem (CID 10072767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).