[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate

C18H32O5Si — CID 101195866

IUPAC[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O5Si/c1-17(2,3)16(20)21-11-13-9-10-15(19)23-14(13)12-22-24(7,8)18(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyLPBARZZYPVGVAF-ZIAGYGMSSA-N
MW356.54 g/mol
LogP3.70
Rot. Bonds5

About [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate

[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate (PubChem CID 101195866) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate
PubChem CID101195866
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O5Si/c1-17(2,3)16(20)21-11-13-9-10-15(19)23-14(13)12-22-24(7,8)18(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyLPBARZZYPVGVAF-ZIAGYGMSSA-N
XLogP3.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

(4R,4aS,8aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 46914553
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 72819931
[(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 2,2-dimethylpropanoate
CID 10992495
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 11737786
[(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-oxo-3-oxabicyclo[3.2.0]heptan-2-yl]methyl 2,2-dimethylpropanoate
CID 71697316
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
CID 100958241
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
CID 68813626
[(2S)-4-(2,2-dimethylpropanoyloxy)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
CID 10891854

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate (CID 101195866) is [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1C=CC(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is LPBARZZYPVGVAF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-17(2,3)16(20)21-11-13-9-10-15(19)23-14(13)12-22-24(7,8)18(4,5)6/h9-10,13-14H,11-12H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate?
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 356.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101195866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).