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

C18H32O6Si — CID 101224552

IUPACmethyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H32O6Si/c1-12(17(20)21-6)14-9-10-15(23-13(2)19)16(24-14)11-22-25(7,8)18(3,4)5/h9-10,12,14-16H,11H2,1-8H3/t12-,14+,15+,16-/m1/s1
InChIKeyCWZDTLYOYADQDS-SYAUCNOPSA-N
MW372.53 g/mol
LogP3.07
Rot. Bonds6

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

methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate (PubChem CID 101224552) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate
PubChem CID101224552
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Namemethyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C18H32O6Si/c1-12(17(20)21-6)14-9-10-15(23-13(2)19)16(24-14)11-22-25(7,8)18(3,4)5/h9-10,12,14-16H,11H2,1-8H3/t12-,14+,15+,16-/m1/s1
InChIKeyCWZDTLYOYADQDS-SYAUCNOPSA-N
XLogP3.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463142
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102355754
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523565
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573501
[(2R,3R,6S)-3-acetyloxy-6-(1-trimethylsilylbuta-2,3-dien-2-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102573502
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882732
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882842
[tert-butyl(dimethyl)silyl] 2-[(3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882930
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882974
[(2S,3S,6S)-3-acetyl-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134928638

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate (CID 101224552) is methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate is COC(=O)[C@H](C)[C@@H]1C=C[C@H](OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate?
The InChIKey is CWZDTLYOYADQDS-SYAUCNOPSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-12(17(20)21-6)14-9-10-15(23-13(2)19)16(24-14)11-22-25(7,8)18(3,4)5/h9-10,12,14-16H,11H2,1-8H3/t12-,14+,15+,16-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate?
methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate has a molecular weight of 372.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R,3S,6S)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-6-yl]propanoate is sourced from PubChem (CID 101224552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).