[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate

C15H29NO3Si — CID 23138753

IUPAC[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate
SMILESCC(=O)OC/C=C1\CNCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO3Si/c1-12(17)18-10-8-13-11-16-9-7-14(13)19-20(5,6)15(2,3)4/h8,14,16H,7,9-11H2,1-6H3/b13-8+
InChIKeyFGKRVTXQGSQYCH-MDWZMJQESA-N
MW299.49 g/mol
LogP2.86
Rot. Bonds4

About [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate

[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate (PubChem CID 23138753) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate.

Molecular Properties

Compound Name[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate
PubChem CID23138753
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Name[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate
SMILESCC(=O)OC/C=C1\CNCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO3Si/c1-12(17)18-10-8-13-11-16-9-7-14(13)19-20(5,6)15(2,3)4/h8,14,16H,7,9-11H2,1-6H3/b13-8+
InChIKeyFGKRVTXQGSQYCH-MDWZMJQESA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate?
The IUPAC name of [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate (CID 23138753) is [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate.
What is the SMILES notation for [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate?
The canonical SMILES for [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate is CC(=O)OC/C=C1\CNCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate?
The InChIKey is FGKRVTXQGSQYCH-MDWZMJQESA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-12(17)18-10-8-13-11-16-9-7-14(13)19-20(5,6)15(2,3)4/h8,14,16H,7,9-11H2,1-6H3/b13-8+.
What are the key properties of [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate?
[(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate has a molecular weight of 299.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ylidene]ethyl] acetate is sourced from PubChem (CID 23138753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).