3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane

C16H32O2Si — CID 90876188

IUPAC3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane
SMILESC=CC(C)(CCC=C(C)C)OO[Si](CC)(CC)CC
InChIInChI=1S/C16H32O2Si/c1-8-16(7,14-12-13-15(5)6)17-18-19(9-2,10-3)11-4/h8,13H,1,9-12,14H2,2-7H3
InChIKeyQXMDFNAFOCDOLO-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.63
Rot. Bonds10

About 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane

3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane (PubChem CID 90876188) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane
PubChem CID90876188
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane
SMILESC=CC(C)(CCC=C(C)C)OO[Si](CC)(CC)CC
InChIInChI=1S/C16H32O2Si/c1-8-16(7,14-12-13-15(5)6)17-18-19(9-2,10-3)11-4/h8,13H,1,9-12,14H2,2-7H3
InChIKeyQXMDFNAFOCDOLO-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.63
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane (CID 90876188) is 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane is C=CC(C)(CCC=C(C)C)OO[Si](CC)(CC)CC.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane?
The InChIKey is QXMDFNAFOCDOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-16(7,14-12-13-15(5)6)17-18-19(9-2,10-3)11-4/h8,13H,1,9-12,14H2,2-7H3.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane?
3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane has a molecular weight of 284.52 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-ylperoxy(triethyl)silane is sourced from PubChem (CID 90876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).