tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane

C20H34O4Si — CID 166448933

IUPACtert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
SMILESCOCO[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-14-18-12-17(22-15-21-4)13-19(24-18)16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18+,19-/m1/s1
InChIKeyBSHZRGYJUHPZFH-CEXWTWQISA-N
MW366.57 g/mol
LogP4.92
Rot. Bonds7

About tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane (PubChem CID 166448933) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
PubChem CID166448933
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nametert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
SMILESCOCO[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-14-18-12-17(22-15-21-4)13-19(24-18)16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18+,19-/m1/s1
InChIKeyBSHZRGYJUHPZFH-CEXWTWQISA-N
XLogP4.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenyloxan-2-yl]acetate
CID 166448975
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
tert-butyl-[[(2R,4S,5S,6R)-4,5-dibromo-6-(phenylmethoxymethyl)oxan-2-yl]methoxy]-dimethylsilane
CID 10505813
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882
(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
CID 135024177
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
CID 102251588
[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 177391057
tert-butyl-[[(4S,5S)-2,2-dioxo-5-phenyl-1,3,2-dioxathiolan-4-yl]methoxy]-dimethylsilane
CID 102524605
(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
CID 50915847
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane (CID 166448933) is tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane is COCO[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is BSHZRGYJUHPZFH-CEXWTWQISA-N. The full InChI is InChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-14-18-12-17(22-15-21-4)13-19(24-18)16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18+,19-/m1/s1.
What are the key properties of tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 366.57 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 166448933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).