butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane

C17H32OSi — CID 531330

IUPACbutyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCC)C(C)CCC
InChIInChI=1S/C17H32OSi/c1-8-10-14-19(6,7)18-17(13-12-15(3)4)16(5)11-9-2/h16-17H,3,8-11,14H2,1-2,4-7H3
InChIKeyBBBIYNLMODGBKF-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds8

About butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane

butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane (PubChem CID 531330) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane.

Molecular Properties

Compound Namebutyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
PubChem CID531330
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Namebutyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane
SMILESC=C(C)C#CC(O[Si](C)(C)CCCC)C(C)CCC
InChIInChI=1S/C17H32OSi/c1-8-10-14-19(6,7)18-17(13-12-15(3)4)16(5)11-9-2/h16-17H,3,8-11,14H2,1-2,4-7H3
InChIKeyBBBIYNLMODGBKF-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
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 butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The IUPAC name of butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane (CID 531330) is butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane.
What is the SMILES notation for butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The canonical SMILES for butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane is C=C(C)C#CC(O[Si](C)(C)CCCC)C(C)CCC.
What is the InChIKey of butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
The InChIKey is BBBIYNLMODGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-10-14-19(6,7)18-17(13-12-15(3)4)16(5)11-9-2/h16-17H,3,8-11,14H2,1-2,4-7H3.
What are the key properties of butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane?
butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,6-dimethylnon-1-en-3-yn-5-yloxy)-dimethylsilane is sourced from PubChem (CID 531330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).