tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane

C18H38O4Si — CID 135016310

IUPACtert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
SMILESCCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C18H38O4Si/c1-9-10-11-14(2)16(21-13-19-6)17(15-12-20-15)22-23(7,8)18(3,4)5/h14-17H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1
InChIKeyUXUXPZRDBDFCCX-YLFCFFPRSA-N
MW346.58 g/mol
LogP4.59
Rot. Bonds11

About tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane

tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane (PubChem CID 135016310) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
PubChem CID135016310
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Nametert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
SMILESCCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C18H38O4Si/c1-9-10-11-14(2)16(21-13-19-6)17(15-12-20-15)22-23(7,8)18(3,4)5/h14-17H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1
InChIKeyUXUXPZRDBDFCCX-YLFCFFPRSA-N
XLogP4.59
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.59
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(1R)-1-[(2R,3S,5R)-2-methyl-5-(2-methylpropyl)-1,4-dioxaspiro[2.2]pentan-2-yl]ethoxy]silane
CID 44475256
tert-butyl-dimethyl-[(1S)-1-[(2R,3S,5R)-2-methyl-5-(2-methylpropyl)-1,4-dioxaspiro[2.2]pentan-2-yl]ethoxy]silane
CID 44475415
tert-butyl-dimethyl-[(1R)-1-[(2R,3S,5R)-2-methyl-5-(2-methylpropyl)-1,4-dioxaspiro[2.2]pentan-2-yl]propoxy]silane
CID 44475416
[(2R,3R)-2-(2-methoxyethoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 101369905
[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 101369907
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
CID 135016309
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 135020678
trimethyl-[2-[[(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-yl]oxymethoxy]ethyl]silane
CID 135020679
[2-(2-Methoxyethoxymethoxy)-3-(3-methyloxiran-2-yl)butoxy]-tri(propan-2-yl)silane
CID 135020785
[(2R,3R)-2-(2-methoxyethoxymethoxy)-3-[(2R,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 135020926
[(2R,3R)-2-(2-methoxyethoxymethoxy)-3-[(2S,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 135020927

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane (CID 135016310) is tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane is CCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane?
The InChIKey is UXUXPZRDBDFCCX-YLFCFFPRSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-9-10-11-14(2)16(21-13-19-6)17(15-12-20-15)22-23(7,8)18(3,4)5/h14-17H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1.
What are the key properties of tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane?
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane has a molecular weight of 346.58 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane is sourced from PubChem (CID 135016310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).