[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane

C16H35FO5Si3 — CID 176847631

IUPAC[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane
SMILESC=CCC(F)(CC=C)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C16H35FO5Si3/c1-10-12-16(17,13-11-2)21-24(8,9)22-23(6,7)14-15-25(18-3,19-4)20-5/h10-11H,1-2,12-15H2,3-9H3
InChIKeyWUWAGCIYWKNTSZ-UHFFFAOYSA-N
MW410.71 g/mol
LogP4.62
Rot. Bonds14

About [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane

[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane (PubChem CID 176847631) has the molecular formula C16H35FO5Si3 and a molecular weight of 410.71 g/mol. Its IUPAC name is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane
PubChem CID176847631
Molecular FormulaC16H35FO5Si3
Molecular Weight410.71 g/mol
Exact Mass410.18
IUPAC Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane
SMILESC=CCC(F)(CC=C)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C16H35FO5Si3/c1-10-12-16(17,13-11-2)21-24(8,9)22-23(6,7)14-15-25(18-3,19-4)20-5/h10-11H,1-2,12-15H2,3-9H3
InChIKeyWUWAGCIYWKNTSZ-UHFFFAOYSA-N
XLogP4.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.71
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane?
The IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane (CID 176847631) is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane.
What is the SMILES notation for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane?
The canonical SMILES for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane is C=CCC(F)(CC=C)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC.
What is the InChIKey of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane?
The InChIKey is WUWAGCIYWKNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35FO5Si3/c1-10-12-16(17,13-11-2)21-24(8,9)22-23(6,7)14-15-25(18-3,19-4)20-5/h10-11H,1-2,12-15H2,3-9H3.
What are the key properties of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane?
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane has a molecular weight of 410.71 g/mol, XLogP of 4.62, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-(4-fluorohepta-1,6-dien-4-yloxy)-dimethylsilane is sourced from PubChem (CID 176847631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).