tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane

C19H38O2Si — CID 10520217

IUPACtert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\CCC(C)O[Si](C)(C)C(C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C19H38O2Si/c1-15(13-14-17-19(6,7)20-17)11-10-12-16(2)21-22(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/b15-11+
InChIKeyLVZCYWNYGNBJIO-RVDMUPIBSA-N
MW326.60 g/mol
LogP6.08
Rot. Bonds8

About tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane (PubChem CID 10520217) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane
PubChem CID10520217
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Nametert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane
SMILESC/C(=C\CCC(C)O[Si](C)(C)C(C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C19H38O2Si/c1-15(13-14-17-19(6,7)20-17)11-10-12-16(2)21-22(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/b15-11+
InChIKeyLVZCYWNYGNBJIO-RVDMUPIBSA-N
XLogP6.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.08
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

(S)-2,3-Epoxysqualene
CID 5459811
(3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene
CID 92449689
2,3-Oxidosqualene
CID 5366020
2,3,22,23-Dioxidosqualene
CID 6440985
29-Methylidene-2,3-oxidosqualene
CID 6438780
2,2-Dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)oxirane
CID 693
2,2-Dimethyl-3-(3,7,12-trimethyl-hexadeca-3,7,11,15-tetraenyl)-oxirane
CID 44368023
CID 5280395
CID 5280395
Squalene 2,3:22,23-Dioxide
CID 161689
(r)-Squalene oxide
CID 92257834
2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,11,15,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
CID 12917198
Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane (CID 10520217) is tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane is C/C(=C\CCC(C)O[Si](C)(C)C(C)(C)C)CCC1OC1(C)C.
What is the InChIKey of tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is LVZCYWNYGNBJIO-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-15(13-14-17-19(6,7)20-17)11-10-12-16(2)21-22(8,9)18(3,4)5/h11,16-17H,10,12-14H2,1-9H3/b15-11+.
What are the key properties of tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 326.60 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10520217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).