ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate

C16H30O3Si — CID 173004820

IUPACethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
SMILESCC=C(C=CO[Si](CC)(CC)CC)CCC(=O)OCC
InChIInChI=1S/C16H30O3Si/c1-6-15(11-12-16(17)18-7-2)13-14-19-20(8-3,9-4)10-5/h6,13-14H,7-12H2,1-5H3
InChIKeyFHUHURPYJGYWLC-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.81
Rot. Bonds10

About ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate

ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate (PubChem CID 173004820) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate.

Molecular Properties

Compound Nameethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
PubChem CID173004820
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate
SMILESCC=C(C=CO[Si](CC)(CC)CC)CCC(=O)OCC
InChIInChI=1S/C16H30O3Si/c1-6-15(11-12-16(17)18-7-2)13-14-19-20(8-3,9-4)10-5/h6,13-14H,7-12H2,1-5H3
InChIKeyFHUHURPYJGYWLC-UHFFFAOYSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate?
The IUPAC name of ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate (CID 173004820) is ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate.
What is the SMILES notation for ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate?
The canonical SMILES for ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate is CC=C(C=CO[Si](CC)(CC)CC)CCC(=O)OCC.
What is the InChIKey of ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate?
The InChIKey is FHUHURPYJGYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-6-15(11-12-16(17)18-7-2)13-14-19-20(8-3,9-4)10-5/h6,13-14H,7-12H2,1-5H3.
What are the key properties of ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate?
ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-triethylsilyloxyethenyl)hex-4-enoate is sourced from PubChem (CID 173004820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).