methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate

C20H38O6Si — CID 11112197

IUPACmethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate
SMILESCOC(=O)C(C)[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(OC)OC
InChIInChI=1S/C20H38O6Si/c1-14(19(21)24-7)16-11-10-15(13-25-27(8,9)20(2,3)4)26-17(16)12-18(22-5)23-6/h10-11,14-18H,12-13H2,1-9H3/t14?,15-,16+,17+/m0/s1
InChIKeyDBBZKIVCVWGICM-GYXHSTLNSA-N
MW402.60 g/mol
LogP3.77
Rot. Bonds9

About methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate

methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate (PubChem CID 11112197) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate
PubChem CID11112197
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Namemethyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate
SMILESCOC(=O)C(C)[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(OC)OC
InChIInChI=1S/C20H38O6Si/c1-14(19(21)24-7)16-11-10-15(13-25-27(8,9)20(2,3)4)26-17(16)12-18(22-5)23-6/h10-11,14-18H,12-13H2,1-9H3/t14?,15-,16+,17+/m0/s1
InChIKeyDBBZKIVCVWGICM-GYXHSTLNSA-N
XLogP3.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate with MolForge

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-[(2S,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134930555
[tert-butyl(dimethyl)silyl] 2-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931472
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931717
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931795
methyl 5-[(4S,5R)-4-[(2S)-butan-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 91222452
[(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-yl] (1S,2R)-2-methoxycyclohex-3-ene-1-carboxylate
CID 10072878
methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate
CID 10915230
methyl (5Z,8S,9R,10E)-8-acetyl-12-[tert-butyl(dimethyl)silyl]oxy-9-(dimethoxymethyl)(813C)heptadeca-5,10-dienoate
CID 11283964
methyl (5Z,8R,9R,10E)-8-acetyl-12-[tert-butyl(dimethyl)silyl]oxy-9-(dimethoxymethyl)(813C)heptadeca-5,10-dienoate
CID 11478091
ethyl 2-[(2S,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]acetate
CID 21671652
2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]butanoate
CID 57360712
[(2S)-pent-4-en-2-yl] 2-[(1R,2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enylcyclohex-3-en-1-yl]acetate
CID 101763050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate?
The IUPAC name of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate (CID 11112197) is methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate.
What is the SMILES notation for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate?
The canonical SMILES for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate is COC(=O)C(C)[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CC(OC)OC.
What is the InChIKey of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate?
The InChIKey is DBBZKIVCVWGICM-GYXHSTLNSA-N. The full InChI is InChI=1S/C20H38O6Si/c1-14(19(21)24-7)16-11-10-15(13-25-27(8,9)20(2,3)4)26-17(16)12-18(22-5)23-6/h10-11,14-18H,12-13H2,1-9H3/t14?,15-,16+,17+/m0/s1.
What are the key properties of methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate?
methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate has a molecular weight of 402.60 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate is sourced from PubChem (CID 11112197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).