triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane

C18H36OSi — CID 135002116

IUPACtriethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
SMILESCC/C=C(\CC)C(/C=C\O[Si](CC)(CC)CC)CCC
InChIInChI=1S/C18H36OSi/c1-7-13-17(9-3)18(14-8-2)15-16-19-20(10-4,11-5)12-6/h13,15-16,18H,7-12,14H2,1-6H3/b16-15-,17-13+
InChIKeyIUUYSTZDMCZKPY-FGNGAWNESA-N
MW296.57 g/mol
LogP6.68
Rot. Bonds11

About triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane

triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane (PubChem CID 135002116) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
PubChem CID135002116
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametriethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
SMILESCC/C=C(\CC)C(/C=C\O[Si](CC)(CC)CC)CCC
InChIInChI=1S/C18H36OSi/c1-7-13-17(9-3)18(14-8-2)15-16-19-20(10-4,11-5)12-6/h13,15-16,18H,7-12,14H2,1-6H3/b16-15-,17-13+
InChIKeyIUUYSTZDMCZKPY-FGNGAWNESA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane?
The IUPAC name of triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane (CID 135002116) is triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane.
What is the SMILES notation for triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane?
The canonical SMILES for triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane is CC/C=C(\CC)C(/C=C\O[Si](CC)(CC)CC)CCC.
What is the InChIKey of triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane?
The InChIKey is IUUYSTZDMCZKPY-FGNGAWNESA-N. The full InChI is InChI=1S/C18H36OSi/c1-7-13-17(9-3)18(14-8-2)15-16-19-20(10-4,11-5)12-6/h13,15-16,18H,7-12,14H2,1-6H3/b16-15-,17-13+.
What are the key properties of triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane?
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane has a molecular weight of 296.57 g/mol, XLogP of 6.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane is sourced from PubChem (CID 135002116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).