3-ethynyloct-1-en-3-yloxy(trimethyl)silane

C13H24OSi — CID 12786194

IUPAC3-ethynyloct-1-en-3-yloxy(trimethyl)silane
SMILESC#CC(C=C)(CCCCC)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-10-11-12-13(8-2,9-3)14-15(4,5)6/h2,9H,3,7,10-12H2,1,4-6H3
InChIKeyMINJSRXYCYKBNW-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds7

About 3-ethynyloct-1-en-3-yloxy(trimethyl)silane

3-ethynyloct-1-en-3-yloxy(trimethyl)silane (PubChem CID 12786194) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 3-ethynyloct-1-en-3-yloxy(trimethyl)silane.

Molecular Properties

Compound Name3-ethynyloct-1-en-3-yloxy(trimethyl)silane
PubChem CID12786194
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name3-ethynyloct-1-en-3-yloxy(trimethyl)silane
SMILESC#CC(C=C)(CCCCC)O[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-10-11-12-13(8-2,9-3)14-15(4,5)6/h2,9H,3,7,10-12H2,1,4-6H3
InChIKeyMINJSRXYCYKBNW-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyloct-1-en-3-yloxy(trimethyl)silane?
The IUPAC name of 3-ethynyloct-1-en-3-yloxy(trimethyl)silane (CID 12786194) is 3-ethynyloct-1-en-3-yloxy(trimethyl)silane.
What is the SMILES notation for 3-ethynyloct-1-en-3-yloxy(trimethyl)silane?
The canonical SMILES for 3-ethynyloct-1-en-3-yloxy(trimethyl)silane is C#CC(C=C)(CCCCC)O[Si](C)(C)C.
What is the InChIKey of 3-ethynyloct-1-en-3-yloxy(trimethyl)silane?
The InChIKey is MINJSRXYCYKBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-7-10-11-12-13(8-2,9-3)14-15(4,5)6/h2,9H,3,7,10-12H2,1,4-6H3.
What are the key properties of 3-ethynyloct-1-en-3-yloxy(trimethyl)silane?
3-ethynyloct-1-en-3-yloxy(trimethyl)silane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyloct-1-en-3-yloxy(trimethyl)silane is sourced from PubChem (CID 12786194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).