methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate

C15H30O4Si — CID 11055778

IUPACmethyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCC[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)18-11-13-9-7-8-12(19-13)10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyJZSZKYXMKCSMRF-QWHCGFSZSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate

methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate (PubChem CID 11055778) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
PubChem CID11055778
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCC[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)18-11-13-9-7-8-12(19-13)10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyJZSZKYXMKCSMRF-QWHCGFSZSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate with MolForge

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Related Compounds

((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Glycerol, 1,3-dicaprinate, 2-OTMS
CID 91751330
Glycerol, 1-caproate-3-caprinate, 2-OTMS
CID 91751332
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
CID 85629213
CID 85629213
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-6-oxooxan-2-yl]acetaldehyde
CID 134853216
methyl 2-[(6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 135013074
ethyl (7S,8R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]nonanoate
CID 138976515
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
Glycerol, 2-hexadecanoate, DTBS
CID 523757

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate (CID 11055778) is methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate is COC(=O)C[C@@H]1CCC[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate?
The InChIKey is JZSZKYXMKCSMRF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)18-11-13-9-7-8-12(19-13)10-14(16)17-4/h12-13H,7-11H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate?
methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate is sourced from PubChem (CID 11055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).