methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate

C15H30O3Si — CID 122369378

IUPACmethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-8-13(14(16)17-5)11-9-10-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyAXNWYOSIOMNPQG-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds8

About methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate

methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate (PubChem CID 122369378) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate.

Molecular Properties

Compound Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate
PubChem CID122369378
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30O3Si/c1-8-13(14(16)17-5)11-9-10-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyAXNWYOSIOMNPQG-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
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 methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate?
The IUPAC name of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate (CID 122369378) is methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate.
What is the SMILES notation for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate?
The canonical SMILES for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate is C=CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate?
The InChIKey is AXNWYOSIOMNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-13(14(16)17-5)11-9-10-12-18-19(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3.
What are the key properties of methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate?
methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoate is sourced from PubChem (CID 122369378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).