methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate

C17H32O5Si — CID 23253301

IUPACmethyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H]1C
InChIInChI=1S/C17H32O5Si/c1-11-9-13(18)14(10-21-23(7,8)17(3,4)5)22-15(11)12(2)16(19)20-6/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15-/m0/s1
InChIKeyWFCBSRFRJLCKIA-MXYBEHONSA-N
MW344.52 g/mol
LogP3.18
Rot. Bonds5

About methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate

methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate (PubChem CID 23253301) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
PubChem CID23253301
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namemethyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H]1C
InChIInChI=1S/C17H32O5Si/c1-11-9-13(18)14(10-21-23(7,8)17(3,4)5)22-15(11)12(2)16(19)20-6/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15-/m0/s1
InChIKeyWFCBSRFRJLCKIA-MXYBEHONSA-N
XLogP3.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2r,3r,4s,5s)-2-Acetyl-3-(t-butyldimethylsilyloxy)-4-methoxy-5-methyl-tetrahydropyran
CID 11141191
(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253062
(2R,3R,6S)-6-butan-2-yl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253064
methyl 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
methyl (2S)-2-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxobutyl)oxan-2-yl]-2-methoxyacetate
CID 25170448
methyl (3S)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383536
methyl (3R)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383537
2,3-Bis(trimethylsilyloxy)-4-methyloctanoic acid methyl ester
CID 129717592
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxoheptan-2-yl]-5-methyloxan-2-yl]propanoate
CID 11419366
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
CID 57133642

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate (CID 23253301) is methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate is COC(=O)[C@H](C)[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H]1C.
What is the InChIKey of methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate?
The InChIKey is WFCBSRFRJLCKIA-MXYBEHONSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-11-9-13(18)14(10-21-23(7,8)17(3,4)5)22-15(11)12(2)16(19)20-6/h11-12,14-15H,9-10H2,1-8H3/t11-,12+,14+,15-/m0/s1.
What are the key properties of methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate?
methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate has a molecular weight of 344.52 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2S,3S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxooxan-2-yl]propanoate is sourced from PubChem (CID 23253301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).