tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane

C26H54O3Si2 — CID 53329192

IUPACtert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](C)[C@H]1CO1
InChIInChI=1S/C26H54O3Si2/c1-19(16-21(3)24-18-27-24)15-20(2)23(29-31(13,14)26(8,9)10)17-22(4)28-30(11,12)25(5,6)7/h15,20-24H,16-18H2,1-14H3/b19-15+/t20-,21+,22-,23-,24-/m1/s1
InChIKeyLVZORJGCLJXPFT-VZKATJSSSA-N
MW470.89 g/mol
LogP8.18
Rot. Bonds11

About tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane (PubChem CID 53329192) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane
PubChem CID53329192
Molecular FormulaC26H54O3Si2
Molecular Weight470.89 g/mol
Exact Mass470.36
IUPAC Nametert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](C)[C@H]1CO1
InChIInChI=1S/C26H54O3Si2/c1-19(16-21(3)24-18-27-24)15-20(2)23(29-31(13,14)26(8,9)10)17-22(4)28-30(11,12)25(5,6)7/h15,20-24H,16-18H2,1-14H3/b19-15+/t20-,21+,22-,23-,24-/m1/s1
InChIKeyLVZORJGCLJXPFT-VZKATJSSSA-N
XLogP8.18
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Launch Full Analysis

Related Compounds

Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-(oxiran-2-yl)-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
CID 134878023
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
8-Methoxy-2-methyl-6-methylene-7-(trimethylsilyl)methyl-2-undecene
CID 101635055
Tert-butyl-dimethyl-[(2-trimethylsilyloxycyclohex-2-en-1-yl)methoxy]silane
CID 19379293
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane
CID 58721991
[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane
CID 72401287
tert-butyl-[(E,2S,4R)-4,7-dimethylnon-6-en-2-yl]oxy-dimethylsilane
CID 173556372
tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane
CID 10502992
tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane
CID 10895785

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane (CID 53329192) is tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane is C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](C)[C@H]1CO1.
What is the InChIKey of tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is LVZORJGCLJXPFT-VZKATJSSSA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-19(16-21(3)24-18-27-24)15-20(2)23(29-31(13,14)26(8,9)10)17-22(4)28-30(11,12)25(5,6)7/h15,20-24H,16-18H2,1-14H3/b19-15+/t20-,21+,22-,23-,24-/m1/s1.
What are the key properties of tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 470.89 g/mol, XLogP of 8.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 53329192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).