tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane

C16H32O2Si — CID 11403387

IUPACtert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C16H32O2Si/c1-13(9-10-14-16(5,6)18-14)11-12-17-19(7,8)15(2,3)4/h11,14H,9-10,12H2,1-8H3/b13-11+
InChIKeyCKEWFHNEJDWSOH-ACCUITESSA-N
MW284.52 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane

tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane (PubChem CID 11403387) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane
PubChem CID11403387
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C16H32O2Si/c1-13(9-10-14-16(5,6)18-14)11-12-17-19(7,8)15(2,3)4/h11,14H,9-10,12H2,1-8H3/b13-11+
InChIKeyCKEWFHNEJDWSOH-ACCUITESSA-N
XLogP4.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
(S,E)-1-(tert-butyldimethylsilyl)-7-(3,3-dimethyloxiran-2-yl)-5-methylhept-4-en-1-one
CID 11001417
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
(4E,8E,12E)-1-[tert-butyl(dimethyl)silyl]-15-[(2S)-3,3-dimethyloxiran-2-yl]-5,9,13-trimethylpentadeca-4,8,12-trien-1-one
CID 11123187
[(2Z,6Z,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-2-[(E)-6-[(2S)-3,3-dimethyloxiran-2-yl]-4-methylhex-3-enyl]-11-methyl-7-(trimethylsilylmethyl)trideca-2,6,10-trienyl]-trimethylsilane
CID 11376749
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
CID 23162265
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
tert-butyl-[(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoxy]-dimethylsilane
CID 135074337
tert-butyl-dimethyl-[[(1R,3S,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-3-yl]oxy]silane
CID 162420072
[1-(3,3-Dimethyloxiran-2-ylmethyl)-3,7-dimethylocta-2,6-dienyl]trimethylsilane
CID 5366406
[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane
CID 10939973

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane (CID 11403387) is tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CCC1OC1(C)C.
What is the InChIKey of tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The InChIKey is CKEWFHNEJDWSOH-ACCUITESSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(9-10-14-16(5,6)18-14)11-12-17-19(7,8)15(2,3)4/h11,14H,9-10,12H2,1-8H3/b13-11+.
What are the key properties of tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11403387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).