[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane

C16H32O4Si — CID 23162265

IUPAC[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
SMILESCCO[Si](C/C=C(\C)CCC1OC1(C)C)(OCC)OCC
InChIInChI=1S/C16H32O4Si/c1-7-17-21(18-8-2,19-9-3)13-12-14(4)10-11-15-16(5,6)20-15/h12,15H,7-11,13H2,1-6H3/b14-12+
InChIKeyFASLETBFIMEEKO-WYMLVPIESA-N
MW316.51 g/mol
LogP3.94
Rot. Bonds11

About [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane

[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane (PubChem CID 23162265) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane.

Molecular Properties

Compound Name[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
PubChem CID23162265
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
SMILESCCO[Si](C/C=C(\C)CCC1OC1(C)C)(OCC)OCC
InChIInChI=1S/C16H32O4Si/c1-7-17-21(18-8-2,19-9-3)13-12-14(4)10-11-15-16(5,6)20-15/h12,15H,7-11,13H2,1-6H3/b14-12+
InChIKeyFASLETBFIMEEKO-WYMLVPIESA-N
XLogP3.94
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane with MolForge

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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 [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane?
The IUPAC name of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane (CID 23162265) is [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane.
What is the SMILES notation for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane?
The canonical SMILES for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane is CCO[Si](C/C=C(\C)CCC1OC1(C)C)(OCC)OCC.
What is the InChIKey of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane?
The InChIKey is FASLETBFIMEEKO-WYMLVPIESA-N. The full InChI is InChI=1S/C16H32O4Si/c1-7-17-21(18-8-2,19-9-3)13-12-14(4)10-11-15-16(5,6)20-15/h12,15H,7-11,13H2,1-6H3/b14-12+.
What are the key properties of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane?
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane has a molecular weight of 316.51 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane is sourced from PubChem (CID 23162265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).