[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane

C18H38O4Si — CID 135020678

IUPAC[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H]1O[C@H]1C
InChIInChI=1S/C18H38O4Si/c1-12(2)23(13(3)4,14(5)6)21-10-17(20-11-19-9)15(7)18-16(8)22-18/h12-18H,10-11H2,1-9H3/t15-,16+,17+,18-/m1/s1
InChIKeyJLWWXORZLRDRSR-VSZNYVQBSA-N
MW346.58 g/mol
LogP4.59
Rot. Bonds11

About [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane

[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane (PubChem CID 135020678) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
PubChem CID135020678
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H]1O[C@H]1C
InChIInChI=1S/C18H38O4Si/c1-12(2)23(13(3)4,14(5)6)21-10-17(20-11-19-9)15(7)18-16(8)22-18/h12-18H,10-11H2,1-9H3/t15-,16+,17+,18-/m1/s1
InChIKeyJLWWXORZLRDRSR-VSZNYVQBSA-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

[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane
CID 10906831
tert-butyl-[(1R)-1-[(2R,3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,4-dioxaspiro[2.2]pentan-2-yl]propoxy]-dimethylsilane
CID 44475417
tert-butyl-[(4S)-4-(methoxymethoxy)-4-[(2S)-oxiran-2-yl]butoxy]-dimethylsilane
CID 46850135
[(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
tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
CID 134971343
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
CID 135016310
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
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 [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane (CID 135020678) is [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane is COCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H]1O[C@H]1C.
What is the InChIKey of [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The InChIKey is JLWWXORZLRDRSR-VSZNYVQBSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-12(2)23(13(3)4,14(5)6)21-10-17(20-11-19-9)15(7)18-16(8)22-18/h12-18H,10-11H2,1-9H3/t15-,16+,17+,18-/m1/s1.
What are the key properties of [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
[(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane 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 [(2R,3R)-2-(methoxymethoxy)-3-[(2R,3S)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 135020678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).