triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane

C20H36OSi — CID 14936192

IUPACtriethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
SMILESC=CCCC(C#CC)(CCC/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-7-13-15-16-19-20(17-9-3,18-14-8-2)21-22(10-4,11-5)12-6/h7-8,13H,2,10-12,14-16,18-19H2,1,3-6H3/b13-7+
InChIKeyRNOAARFVTYBXIS-NTUHNPAUSA-N
MW320.59 g/mol
LogP6.48
Rot. Bonds12

About triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane

triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane (PubChem CID 14936192) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
PubChem CID14936192
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametriethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
SMILESC=CCCC(C#CC)(CCC/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-7-13-15-16-19-20(17-9-3,18-14-8-2)21-22(10-4,11-5)12-6/h7-8,13H,2,10-12,14-16,18-19H2,1,3-6H3/b13-7+
InChIKeyRNOAARFVTYBXIS-NTUHNPAUSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.48
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': '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-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane?
The IUPAC name of triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane (CID 14936192) is triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane.
What is the SMILES notation for triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane?
The canonical SMILES for triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane is C=CCCC(C#CC)(CCC/C=C/C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane?
The InChIKey is RNOAARFVTYBXIS-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H36OSi/c1-7-13-15-16-19-20(17-9-3,18-14-8-2)21-22(10-4,11-5)12-6/h7-8,13H,2,10-12,14-16,18-19H2,1,3-6H3/b13-7+.
What are the key properties of triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane?
triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane has a molecular weight of 320.59 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane is sourced from PubChem (CID 14936192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).