triethoxy(oct-7-ynyl)silane

C14H28O3Si — CID 87600442

IUPACtriethoxy(oct-7-ynyl)silane
SMILESC#CCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H,6-14H2,2-4H3
InChIKeyYOVANCPJVSOWEC-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.62
Rot. Bonds12

About triethoxy(oct-7-ynyl)silane

triethoxy(oct-7-ynyl)silane (PubChem CID 87600442) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is triethoxy(oct-7-ynyl)silane.

Molecular Properties

Compound Nametriethoxy(oct-7-ynyl)silane
PubChem CID87600442
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nametriethoxy(oct-7-ynyl)silane
SMILESC#CCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H,6-14H2,2-4H3
InChIKeyYOVANCPJVSOWEC-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy(oct-7-ynyl)silane?
The IUPAC name of triethoxy(oct-7-ynyl)silane (CID 87600442) is triethoxy(oct-7-ynyl)silane.
What is the SMILES notation for triethoxy(oct-7-ynyl)silane?
The canonical SMILES for triethoxy(oct-7-ynyl)silane is C#CCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(oct-7-ynyl)silane?
The InChIKey is YOVANCPJVSOWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h1H,6-14H2,2-4H3.
What are the key properties of triethoxy(oct-7-ynyl)silane?
triethoxy(oct-7-ynyl)silane has a molecular weight of 272.46 g/mol, XLogP of 3.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(oct-7-ynyl)silane is sourced from PubChem (CID 87600442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).