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

C28H54OSi — CID 531319

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C28H54OSi/c1-8-11-14-17-22-30(23-18-15-12-9-2,24-19-16-13-10-3)29-28(25-27(6)7)21-20-26(4)5/h27-28H,4,8-19,22-25H2,1-3,5-7H3
InChIKeyVETCANCRYSLUIK-UHFFFAOYSA-N
MW434.83 g/mol
LogP9.68
Rot. Bonds19

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

2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane (PubChem CID 531319) has the molecular formula C28H54OSi and a molecular weight of 434.83 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane
PubChem CID531319
Molecular FormulaC28H54OSi
Molecular Weight434.83 g/mol
Exact Mass434.39
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane
SMILESC=C(C)C#CC(CC(C)C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C28H54OSi/c1-8-11-14-17-22-30(23-18-15-12-9-2,24-19-16-13-10-3)29-28(25-27(6)7)21-20-26(4)5/h27-28H,4,8-19,22-25H2,1-3,5-7H3
InChIKeyVETCANCRYSLUIK-UHFFFAOYSA-N
XLogP9.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.83
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane (CID 531319) is 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane is C=C(C)C#CC(CC(C)C)O[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane?
The InChIKey is VETCANCRYSLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54OSi/c1-8-11-14-17-22-30(23-18-15-12-9-2,24-19-16-13-10-3)29-28(25-27(6)7)21-20-26(4)5/h27-28H,4,8-19,22-25H2,1-3,5-7H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane?
2,7-dimethyloct-7-en-5-yn-4-yloxy(trihexyl)silane has a molecular weight of 434.83 g/mol, XLogP of 9.68, 19 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(trihexyl)silane is sourced from PubChem (CID 531319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).