tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane

C14H30O3Si — CID 22848916

IUPACtert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCOC[C@@H]1OC[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11-8-12(13(10-15-5)16-9-11)17-18(6,7)14(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyKUFKHFSBLLNYJT-UPJWGTAASA-N
MW274.48 g/mol
LogP3.45
Rot. Bonds4

About tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 22848916) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID22848916
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nametert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCOC[C@@H]1OC[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-11-8-12(13(10-15-5)16-9-11)17-18(6,7)14(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyKUFKHFSBLLNYJT-UPJWGTAASA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
CID 54753890
tert-butyl-[(2R,4S,5R)-4-fluoro-5-methyl-2-propan-2-yloxan-3-yl]oxy-dimethylsilane
CID 60138989
tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane
CID 134974113
(2S,3R,4S,5S)-[3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-yl]methanol
CID 10891600
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-methanol
CID 19699695
(2S,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-2-[(tert-butyldimethylsilyloxy)methyl]-4-methoxy-5-methyltetrahydro-2H-pyran
CID 57235297
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
(2R,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138960
[(2S,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methanol
CID 67803874
triethyl-[[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]methoxy]silane
CID 88420117
3-Butoxy-5-methyl-2-(propoxymethyl)oxane
CID 90699176
3-Ethoxy-2-(methoxymethyl)-5-methyloxane
CID 90756840

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane (CID 22848916) is tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane is COC[C@@H]1OC[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is KUFKHFSBLLNYJT-UPJWGTAASA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11-8-12(13(10-15-5)16-9-11)17-18(6,7)14(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12-,13+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 274.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,5R)-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 22848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).