propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate

C17H34O3Si — CID 10852789

IUPACpropan-2-yl (E)-3-triethylsilyloxyoct-4-enoate
SMILESCCC/C=C/C(CC(=O)OC(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-11-12-13-16(14-17(18)19-15(5)6)20-21(8-2,9-3)10-4/h12-13,15-16H,7-11,14H2,1-6H3/b13-12+
InChIKeyVVZLQKWWHMWIJY-OUKQBFOZSA-N
MW314.54 g/mol
LogP5.07
Rot. Bonds11

About propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate

propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate (PubChem CID 10852789) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-3-triethylsilyloxyoct-4-enoate
PubChem CID10852789
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namepropan-2-yl (E)-3-triethylsilyloxyoct-4-enoate
SMILESCCC/C=C/C(CC(=O)OC(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-11-12-13-16(14-17(18)19-15(5)6)20-21(8-2,9-3)10-4/h12-13,15-16H,7-11,14H2,1-6H3/b13-12+
InChIKeyVVZLQKWWHMWIJY-OUKQBFOZSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate?
The IUPAC name of propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate (CID 10852789) is propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate.
What is the SMILES notation for propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate?
The canonical SMILES for propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate is CCC/C=C/C(CC(=O)OC(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate?
The InChIKey is VVZLQKWWHMWIJY-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-11-12-13-16(14-17(18)19-15(5)6)20-21(8-2,9-3)10-4/h12-13,15-16H,7-11,14H2,1-6H3/b13-12+.
What are the key properties of propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate?
propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-3-triethylsilyloxyoct-4-enoate is sourced from PubChem (CID 10852789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).