2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane

C16H28OSi — CID 66615599

IUPAC2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane
SMILESCCCCC=C[Si](C)(C)OC#CC1CCCCC1
InChIInChI=1S/C16H28OSi/c1-4-5-6-10-15-18(2,3)17-14-13-16-11-8-7-9-12-16/h10,15-16H,4-9,11-12H2,1-3H3
InChIKeyIHZPGDZOQYVHPH-UHFFFAOYSA-N
MW264.49 g/mol
LogP5.03
Rot. Bonds5

About 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane

2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane (PubChem CID 66615599) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane.

Molecular Properties

Compound Name2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane
PubChem CID66615599
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Name2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane
SMILESCCCCC=C[Si](C)(C)OC#CC1CCCCC1
InChIInChI=1S/C16H28OSi/c1-4-5-6-10-15-18(2,3)17-14-13-16-11-8-7-9-12-16/h10,15-16H,4-9,11-12H2,1-3H3
InChIKeyIHZPGDZOQYVHPH-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.49
LogP ≤ 55.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane?
The IUPAC name of 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane (CID 66615599) is 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane.
What is the SMILES notation for 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane?
The canonical SMILES for 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane is CCCCC=C[Si](C)(C)OC#CC1CCCCC1.
What is the InChIKey of 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane?
The InChIKey is IHZPGDZOQYVHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-4-5-6-10-15-18(2,3)17-14-13-16-11-8-7-9-12-16/h10,15-16H,4-9,11-12H2,1-3H3.
What are the key properties of 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane?
2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane has a molecular weight of 264.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethynoxy-hex-1-enyl-dimethylsilane is sourced from PubChem (CID 66615599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).