trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane

C17H34O2Si — CID 135041015

IUPACtrimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane
SMILESCC(C)=CCC[C@@]1(C)O[C@H]1CCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5)15(18-17)11-13-16(3,4)19-20(6,7)8/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1
InChIKeyHOTXUXFBWSHVDR-DOTOQJQBSA-N
MW298.54 g/mol
LogP5.30
Rot. Bonds8

About trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane

trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane (PubChem CID 135041015) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane
PubChem CID135041015
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametrimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane
SMILESCC(C)=CCC[C@@]1(C)O[C@H]1CCC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5)15(18-17)11-13-16(3,4)19-20(6,7)8/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1
InChIKeyHOTXUXFBWSHVDR-DOTOQJQBSA-N
XLogP5.30
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.30
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

((5-((2S,3S)-3-((2,6-Dimethoxy-1-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-yl)methyl)-2-methyloxiran-2-yl)-2-methylpentan-2-yl)oxy)triethylsilane
CID 71520045
Squalene dioxide
CID 87695084
tert-butyl-[(3E,7Z,11E)-1-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,12,16-trimethylheptadeca-3,7,11,15-tetraen-8-yl]oxy-dimethylsilane
CID 24899614
(2S,3S)-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-2-(4-methylpent-3-enyl)oxirane
CID 71725636
2-(4,8-Dimethylnona-3,7-dienyl)-3-[2-[3-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxirane
CID 91008561
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 101396453
(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
CID 101489559
tert-butyl-[4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]but-1-en-2-yloxy]-dimethylsilane
CID 101508864
tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
CID 102374991
[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane
CID 134882890
[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
CID 134942486
tert-butyl-dimethyl-[[(13R,14S)-3-oxatricyclo[11.2.1.02,4]hexadec-1(16)-en-14-yl]oxy]silane
CID 135067890

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane?
The IUPAC name of trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane (CID 135041015) is trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane is CC(C)=CCC[C@@]1(C)O[C@H]1CCC(C)(C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane?
The InChIKey is HOTXUXFBWSHVDR-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(2)10-9-12-17(5)15(18-17)11-13-16(3,4)19-20(6,7)8/h10,15H,9,11-13H2,1-8H3/t15-,17+/m0/s1.
What are the key properties of trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane?
trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-4-[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]butan-2-yl]oxysilane is sourced from PubChem (CID 135041015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).