4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane

C18H34O4Si — CID 86664259

IUPAC4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane
SMILESCCO[Si](CCCCOC1C#CCCCCC1)(OCC)OCC
InChIInChI=1S/C18H34O4Si/c1-4-20-23(21-5-2,22-6-3)17-13-12-16-19-18-14-10-8-7-9-11-15-18/h18H,4-10,12-14,16-17H2,1-3H3
InChIKeyQTTYZFVFHNOGNM-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.17
Rot. Bonds12

About 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane

4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane (PubChem CID 86664259) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane.

Molecular Properties

Compound Name4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane
PubChem CID86664259
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane
SMILESCCO[Si](CCCCOC1C#CCCCCC1)(OCC)OCC
InChIInChI=1S/C18H34O4Si/c1-4-20-23(21-5-2,22-6-3)17-13-12-16-19-18-14-10-8-7-9-11-15-18/h18H,4-10,12-14,16-17H2,1-3H3
InChIKeyQTTYZFVFHNOGNM-UHFFFAOYSA-N
XLogP4.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane?
The IUPAC name of 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane (CID 86664259) is 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane.
What is the SMILES notation for 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane?
The canonical SMILES for 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane is CCO[Si](CCCCOC1C#CCCCCC1)(OCC)OCC.
What is the InChIKey of 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane?
The InChIKey is QTTYZFVFHNOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-4-20-23(21-5-2,22-6-3)17-13-12-16-19-18-14-10-8-7-9-11-15-18/h18H,4-10,12-14,16-17H2,1-3H3.
What are the key properties of 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane?
4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane has a molecular weight of 342.55 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooct-2-yn-1-yloxybutyl(triethoxy)silane is sourced from PubChem (CID 86664259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).