tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane

C22H42OSi — CID 531338

IUPACtributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H42OSi/c1-8-11-16-24(17-12-9-2,18-13-10-3)23-22(19-21(6)7)15-14-20(4)5/h21-22H,4,8-13,16-19H2,1-3,5-7H3
InChIKeyBZYJKIZVPXJJAP-UHFFFAOYSA-N
MW350.66 g/mol
LogP7.34
Rot. Bonds13

About tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane

tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane (PubChem CID 531338) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nametributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane
PubChem CID531338
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Nametributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H42OSi/c1-8-11-16-24(17-12-9-2,18-13-10-3)23-22(19-21(6)7)15-14-20(4)5/h21-22H,4,8-13,16-19H2,1-3,5-7H3
InChIKeyBZYJKIZVPXJJAP-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane?
The IUPAC name of tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane (CID 531338) is tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane.
What is the SMILES notation for tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane?
The canonical SMILES for tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane is C=C(C)C#CC(CC(C)C)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane?
The InChIKey is BZYJKIZVPXJJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-8-11-16-24(17-12-9-2,18-13-10-3)23-22(19-21(6)7)15-14-20(4)5/h21-22H,4,8-13,16-19H2,1-3,5-7H3.
What are the key properties of tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane?
tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane has a molecular weight of 350.66 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2,7-dimethyloct-7-en-5-yn-4-yloxy)silane is sourced from PubChem (CID 531338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).