ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate

C16H32O3Si — CID 152616792

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C16H32O3Si/c1-8-14(13-15(17)18-9-2)11-10-12-19-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyZARFCKAKTJJQOC-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds9

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate (PubChem CID 152616792) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate
PubChem CID152616792
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)CC(=O)OCC
InChIInChI=1S/C16H32O3Si/c1-8-14(13-15(17)18-9-2)11-10-12-19-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyZARFCKAKTJJQOC-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate (CID 152616792) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate is C=CC(CCCO[Si](C)(C)C(C)(C)C)CC(=O)OCC.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate?
The InChIKey is ZARFCKAKTJJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-14(13-15(17)18-9-2)11-10-12-19-20(6,7)16(3,4)5/h8,14H,1,9-13H2,2-7H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate is sourced from PubChem (CID 152616792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).