3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane

C15H28O3Si — CID 10094119

IUPAC3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=C[Si](C)(C)C)OCOCCOC
InChIInChI=1S/C15H28O3Si/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2/h6,13H,1,7-9,11-12,14H2,2-5H3
InChIKeyUBBKUYFJCSFMJK-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.90
Rot. Bonds11

About 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane

3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane (PubChem CID 10094119) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
PubChem CID10094119
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=C[Si](C)(C)C)OCOCCOC
InChIInChI=1S/C15H28O3Si/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2/h6,13H,1,7-9,11-12,14H2,2-5H3
InChIKeyUBBKUYFJCSFMJK-UHFFFAOYSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The IUPAC name of 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane (CID 10094119) is 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane is C=CCCCC(=C=C[Si](C)(C)C)OCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The InChIKey is UBBKUYFJCSFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2/h6,13H,1,7-9,11-12,14H2,2-5H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane is sourced from PubChem (CID 10094119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).