tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane

C28H40O2Si — CID 135079027

IUPACtert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
SMILESC/C(=C\CCC[C@H]1CO1)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O2Si/c1-23(14-12-13-15-25-22-29-25)20-24(2)21-30-31(28(3,4)5,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h6-11,14,16-19,24-25H,12-13,15,20-22H2,1-5H3/b23-14+/t24-,25+/m1/s1
InChIKeyWNRJXQJQVWYDTH-HDFXIGACSA-N
MW436.71 g/mol
LogP6.10
Rot. Bonds11

About tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane

tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane (PubChem CID 135079027) has the molecular formula C28H40O2Si and a molecular weight of 436.71 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
PubChem CID135079027
Molecular FormulaC28H40O2Si
Molecular Weight436.71 g/mol
Exact Mass436.28
IUPAC Nametert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
SMILESC/C(=C\CCC[C@H]1CO1)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O2Si/c1-23(14-12-13-15-25-22-29-25)20-24(2)21-30-31(28(3,4)5,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h6-11,14,16-19,24-25H,12-13,15,20-22H2,1-5H3/b23-14+/t24-,25+/m1/s1
InChIKeyWNRJXQJQVWYDTH-HDFXIGACSA-N
XLogP6.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane with MolForge

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Related Compounds

(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoic acid
CID 69284121
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane (CID 135079027) is tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane is C/C(=C\CCC[C@H]1CO1)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane?
The InChIKey is WNRJXQJQVWYDTH-HDFXIGACSA-N. The full InChI is InChI=1S/C28H40O2Si/c1-23(14-12-13-15-25-22-29-25)20-24(2)21-30-31(28(3,4)5,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h6-11,14,16-19,24-25H,12-13,15,20-22H2,1-5H3/b23-14+/t24-,25+/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane?
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane has a molecular weight of 436.71 g/mol, XLogP of 6.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane is sourced from PubChem (CID 135079027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).