3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane

C16H30OSi — CID 87404968

IUPAC3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane
SMILESC#CC(C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3
InChIKeySJEYLSUPWPCBID-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.15
Rot. Bonds8

About 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane

3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane (PubChem CID 87404968) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane.

Molecular Properties

Compound Name3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane
PubChem CID87404968
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane
SMILESC#CC(C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3
InChIKeySJEYLSUPWPCBID-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane?
The IUPAC name of 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane (CID 87404968) is 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane.
What is the SMILES notation for 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane?
The canonical SMILES for 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane is C#CC(C)(CCC=C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane?
The InChIKey is SJEYLSUPWPCBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-16(7,14-12-13-15(5)6)17-18(9-2,10-3)11-4/h1,13H,9-12,14H2,2-7H3.
What are the key properties of 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane?
3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane is sourced from PubChem (CID 87404968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).