tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane

C23H44OSi — CID 531339

IUPACtributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane
SMILESC=C(C)C#CC(O[Si](CCCC)(CCCC)CCCC)C(C)CCC
InChIInChI=1S/C23H44OSi/c1-8-12-18-25(19-13-9-2,20-14-10-3)24-23(17-16-21(5)6)22(7)15-11-4/h22-23H,5,8-15,18-20H2,1-4,6-7H3
InChIKeyWDYIXHISWAKIMT-UHFFFAOYSA-N
MW364.69 g/mol
LogP7.73
Rot. Bonds14

About tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane

tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane (PubChem CID 531339) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane.

Molecular Properties

Compound Nametributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane
PubChem CID531339
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Nametributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane
SMILESC=C(C)C#CC(O[Si](CCCC)(CCCC)CCCC)C(C)CCC
InChIInChI=1S/C23H44OSi/c1-8-12-18-25(19-13-9-2,20-14-10-3)24-23(17-16-21(5)6)22(7)15-11-4/h22-23H,5,8-15,18-20H2,1-4,6-7H3
InChIKeyWDYIXHISWAKIMT-UHFFFAOYSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.73
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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Related Compounds

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
2,7-Dimethyl-4-triisobutylsilyloxyoct-7-en-5-yne
CID 531264
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,7-Dimethyl-4-trimethylsilyloxyoct-7-en-5-yne
CID 531271
2,6-Dimethyl-5-trimethylsilyloxynon-1-en-3-yne
CID 531272
2,7-Dimethyl-4-dimethylisopropylsilyloxyoct-7-en-5-yne
CID 531290
2,6-Dimethyl-6-dimethylisopropylsilyloxynon-1-en-3-yne
CID 531291
2,7-Dimethyl-4-dimethyloctylsilyloxyoct-7-en-5-yne
CID 531298
2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,7-Dimethyl-4-tripropylsilyloxyoct-7-en-5-yne
CID 531308
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,7-Dimethyl-4-trihexylsilyloxyoct-7-en-5-yne
CID 531319

Frequently Asked Questions

What is the IUPAC name of tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane?
The IUPAC name of tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane (CID 531339) is tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane.
What is the SMILES notation for tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane?
The canonical SMILES for tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane is C=C(C)C#CC(O[Si](CCCC)(CCCC)CCCC)C(C)CCC.
What is the InChIKey of tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane?
The InChIKey is WDYIXHISWAKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSi/c1-8-12-18-25(19-13-9-2,20-14-10-3)24-23(17-16-21(5)6)22(7)15-11-4/h22-23H,5,8-15,18-20H2,1-4,6-7H3.
What are the key properties of tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane?
tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane has a molecular weight of 364.69 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2,6-dimethylnon-1-en-3-yn-5-yloxy)silane is sourced from PubChem (CID 531339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).