methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate

C15H26O6Si — CID 11186560

IUPACmethyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C15H26O6Si/c1-10(16)20-12-11(21-22(6,7)15(2,3)4)8-9-19-13(12)14(17)18-5/h8-9,11-13H,1-7H3/t11-,12+,13+/m1/s1
InChIKeyHVVSTKVEXRXBGY-AGIUHOORSA-N
MW330.45 g/mol
LogP2.39
Rot. Bonds4

About methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate

methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate (PubChem CID 11186560) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate
PubChem CID11186560
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Namemethyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C15H26O6Si/c1-10(16)20-12-11(21-22(6,7)15(2,3)4)8-9-19-13(12)14(17)18-5/h8-9,11-13H,1-7H3/t11-,12+,13+/m1/s1
InChIKeyHVVSTKVEXRXBGY-AGIUHOORSA-N
XLogP2.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate (CID 11186560) is methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate is COC(=O)[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O.
What is the InChIKey of methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate?
The InChIKey is HVVSTKVEXRXBGY-AGIUHOORSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-10(16)20-12-11(21-22(6,7)15(2,3)4)8-9-19-13(12)14(17)18-5/h8-9,11-13H,1-7H3/t11-,12+,13+/m1/s1.
What are the key properties of methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate?
methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate has a molecular weight of 330.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 11186560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).