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

C22H42OSi — CID 531264

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C22H42OSi/c1-17(2)11-12-22(13-18(3)4)23-24(14-19(5)6,15-20(7)8)16-21(9)10/h18-22H,1,13-16H2,2-10H3
InChIKeyKRBCJAWQCUEWLR-UHFFFAOYSA-N
MW350.66 g/mol
LogP6.91
Rot. Bonds10

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

2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane (PubChem CID 531264) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane
PubChem CID531264
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C22H42OSi/c1-17(2)11-12-22(13-18(3)4)23-24(14-19(5)6,15-20(7)8)16-21(9)10/h18-22H,1,13-16H2,2-10H3
InChIKeyKRBCJAWQCUEWLR-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 56.91
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 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane (CID 531264) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane is C=C(C)C#CC(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane?
The InChIKey is KRBCJAWQCUEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-17(2)11-12-22(13-18(3)4)23-24(14-19(5)6,15-20(7)8)16-21(9)10/h18-22H,1,13-16H2,2-10H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane has a molecular weight of 350.66 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-5-yn-4-yloxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 531264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).