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

C16H28O6Si — CID 101185893

IUPACmethyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C16H28O6Si/c1-11(17)21-15-12(22-23(6,7)16(2,3)4)8-9-20-13(15)10-14(18)19-5/h8-9,12-13,15H,10H2,1-7H3/t12-,13-,15+/m1/s1
InChIKeyNAQXMYBHSDRZEJ-NFAWXSAZSA-N
MW344.48 g/mol
LogP2.78
Rot. Bonds5

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

methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate (PubChem CID 101185893) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate
PubChem CID101185893
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C16H28O6Si/c1-11(17)21-15-12(22-23(6,7)16(2,3)4)8-9-20-13(15)10-14(18)19-5/h8-9,12-13,15H,10H2,1-7H3/t12-,13-,15+/m1/s1
InChIKeyNAQXMYBHSDRZEJ-NFAWXSAZSA-N
XLogP2.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate (CID 101185893) is methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate is COC(=O)C[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 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate?
The InChIKey is NAQXMYBHSDRZEJ-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H28O6Si/c1-11(17)21-15-12(22-23(6,7)16(2,3)4)8-9-20-13(15)10-14(18)19-5/h8-9,12-13,15H,10H2,1-7H3/t12-,13-,15+/m1/s1.
What are the key properties of methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate?
methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate has a molecular weight of 344.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,4R)-3-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]acetate is sourced from PubChem (CID 101185893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).