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

C23H44OSi — CID 531265

IUPAC2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane
SMILESC=C(C)C#CC(O[Si](CC(C)C)(CC(C)C)CC(C)C)C(C)CCC
InChIInChI=1S/C23H44OSi/c1-11-12-22(10)23(14-13-18(2)3)24-25(15-19(4)5,16-20(6)7)17-21(8)9/h19-23H,2,11-12,15-17H2,1,3-10H3
InChIKeyVHKZRCJPPNJMDP-UHFFFAOYSA-N
MW364.69 g/mol
LogP7.30
Rot. Bonds11

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

2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane (PubChem CID 531265) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane
PubChem CID531265
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Name2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane
SMILESC=C(C)C#CC(O[Si](CC(C)C)(CC(C)C)CC(C)C)C(C)CCC
InChIInChI=1S/C23H44OSi/c1-11-12-22(10)23(14-13-18(2)3)24-25(15-19(4)5,16-20(6)7)17-21(8)9/h19-23H,2,11-12,15-17H2,1,3-10H3
InChIKeyVHKZRCJPPNJMDP-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.30
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 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane?
The IUPAC name of 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane (CID 531265) is 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane?
The canonical SMILES for 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane is C=C(C)C#CC(O[Si](CC(C)C)(CC(C)C)CC(C)C)C(C)CCC.
What is the InChIKey of 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane?
The InChIKey is VHKZRCJPPNJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSi/c1-11-12-22(10)23(14-13-18(2)3)24-25(15-19(4)5,16-20(6)7)17-21(8)9/h19-23H,2,11-12,15-17H2,1,3-10H3.
What are the key properties of 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane?
2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane has a molecular weight of 364.69 g/mol, XLogP of 7.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnon-1-en-3-yn-5-yloxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 531265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).