tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane

C27H58O4Si3 — CID 11049724

IUPACtert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane
SMILESC=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O4Si3/c1-19(2)24(31-32(13,14)15)27(12)25(29-27)23(30-33(16,17)26(9,10)11)18-28-34(20(3)4,21(5)6)22(7)8/h20-25H,1,18H2,2-17H3/t23-,24?,25+,27+/m1/s1
InChIKeyRUPPOXXTHVARCH-PDNXYAFSSA-N
MW531.02 g/mol
LogP8.52
Rot. Bonds13

About tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane

tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane (PubChem CID 11049724) has the molecular formula C27H58O4Si3 and a molecular weight of 531.02 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane
PubChem CID11049724
Molecular FormulaC27H58O4Si3
Molecular Weight531.02 g/mol
Exact Mass530.36
IUPAC Nametert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane
SMILESC=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O4Si3/c1-19(2)24(31-32(13,14)15)27(12)25(29-27)23(30-33(16,17)26(9,10)11)18-28-34(20(3)4,21(5)6)22(7)8/h20-25H,1,18H2,2-17H3/t23-,24?,25+,27+/m1/s1
InChIKeyRUPPOXXTHVARCH-PDNXYAFSSA-N
XLogP8.52
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.02
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane (CID 11049724) is tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane is C=C(C)C(O[Si](C)(C)C)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane?
The InChIKey is RUPPOXXTHVARCH-PDNXYAFSSA-N. The full InChI is InChI=1S/C27H58O4Si3/c1-19(2)24(31-32(13,14)15)27(12)25(29-27)23(30-33(16,17)26(9,10)11)18-28-34(20(3)4,21(5)6)22(7)8/h20-25H,1,18H2,2-17H3/t23-,24?,25+,27+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane?
tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane has a molecular weight of 531.02 g/mol, XLogP of 8.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-(2-methyl-1-trimethylsilyloxyprop-2-enyl)oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane is sourced from PubChem (CID 11049724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).