hex-4-yn-3-yloxy-tris(2-methylpropyl)silane

C18H36OSi — CID 531261

IUPAChex-4-yn-3-yloxy-tris(2-methylpropyl)silane
SMILESCC#CC(CC)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H36OSi/c1-9-11-18(10-2)19-20(12-15(3)4,13-16(5)6)14-17(7)8/h15-18H,10,12-14H2,1-8H3
InChIKeyDBZLJOCXAHKVLA-UHFFFAOYSA-N
MW296.57 g/mol
LogP5.72
Rot. Bonds9

About hex-4-yn-3-yloxy-tris(2-methylpropyl)silane

hex-4-yn-3-yloxy-tris(2-methylpropyl)silane (PubChem CID 531261) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-tris(2-methylpropyl)silane
PubChem CID531261
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Namehex-4-yn-3-yloxy-tris(2-methylpropyl)silane
SMILESCC#CC(CC)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H36OSi/c1-9-11-18(10-2)19-20(12-15(3)4,13-16(5)6)14-17(7)8/h15-18H,10,12-14H2,1-8H3
InChIKeyDBZLJOCXAHKVLA-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.72
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'}

Analyze hex-4-yn-3-yloxy-tris(2-methylpropyl)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 hex-4-yn-3-yloxy-tris(2-methylpropyl)silane?
The IUPAC name of hex-4-yn-3-yloxy-tris(2-methylpropyl)silane (CID 531261) is hex-4-yn-3-yloxy-tris(2-methylpropyl)silane.
What is the SMILES notation for hex-4-yn-3-yloxy-tris(2-methylpropyl)silane?
The canonical SMILES for hex-4-yn-3-yloxy-tris(2-methylpropyl)silane is CC#CC(CC)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of hex-4-yn-3-yloxy-tris(2-methylpropyl)silane?
The InChIKey is DBZLJOCXAHKVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-9-11-18(10-2)19-20(12-15(3)4,13-16(5)6)14-17(7)8/h15-18H,10,12-14H2,1-8H3.
What are the key properties of hex-4-yn-3-yloxy-tris(2-methylpropyl)silane?
hex-4-yn-3-yloxy-tris(2-methylpropyl)silane has a molecular weight of 296.57 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 531261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).