bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane

C18H32O2Si — CID 23450486

IUPACbis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
SMILESC#CC(C)(CC(C)C)O[Si](C)(C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3
InChIKeyRJKTWPICMLBCEL-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.60
Rot. Bonds8

About bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane

bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane (PubChem CID 23450486) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Namebis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
PubChem CID23450486
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namebis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
SMILESC#CC(C)(CC(C)C)O[Si](C)(C)OC(C)(C#C)CC(C)C
InChIInChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3
InChIKeyRJKTWPICMLBCEL-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane 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 bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane?
The IUPAC name of bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane (CID 23450486) is bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane.
What is the SMILES notation for bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane?
The canonical SMILES for bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane is C#CC(C)(CC(C)C)O[Si](C)(C)OC(C)(C#C)CC(C)C.
What is the InChIKey of bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane?
The InChIKey is RJKTWPICMLBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-11-17(7,13-15(3)4)19-21(9,10)20-18(8,12-2)14-16(5)6/h1-2,15-16H,13-14H2,3-10H3.
What are the key properties of bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane?
bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane is sourced from PubChem (CID 23450486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).