triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane

C15H28OSi — CID 11265259

IUPACtriethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
SMILESC#CC[C@@H](CC(=C)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H28OSi/c1-7-12-15(13-14(6)8-2)16-17(9-3,10-4)11-5/h1,15H,6,8-13H2,2-5H3/t15-/m0/s1
InChIKeyUEPNLARJQGKBBF-HNNXBMFYSA-N
MW252.47 g/mol
LogP4.76
Rot. Bonds9

About triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane

triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane (PubChem CID 11265259) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
PubChem CID11265259
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametriethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
SMILESC#CC[C@@H](CC(=C)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H28OSi/c1-7-12-15(13-14(6)8-2)16-17(9-3,10-4)11-5/h1,15H,6,8-13H2,2-5H3/t15-/m0/s1
InChIKeyUEPNLARJQGKBBF-HNNXBMFYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane?
The IUPAC name of triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane (CID 11265259) is triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane?
The canonical SMILES for triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane is C#CC[C@@H](CC(=C)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane?
The InChIKey is UEPNLARJQGKBBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-12-15(13-14(6)8-2)16-17(9-3,10-4)11-5/h1,15H,6,8-13H2,2-5H3/t15-/m0/s1.
What are the key properties of triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane?
triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane has a molecular weight of 252.47 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane is sourced from PubChem (CID 11265259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).