ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate

C17H34O3Si — CID 11823196

IUPACethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/CC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-19-15(18)14(2)11-12-17(6,7)13-20-21(8,9)16(3,4)5/h11H,10,12-13H2,1-9H3/b14-11+
InChIKeyLFUZGNPFACRIAX-SDNWHVSQSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds7

About ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate (PubChem CID 11823196) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate
PubChem CID11823196
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/CC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-10-19-15(18)14(2)11-12-17(6,7)13-20-21(8,9)16(3,4)5/h11H,10,12-13H2,1-9H3/b14-11+
InChIKeyLFUZGNPFACRIAX-SDNWHVSQSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate?
The IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate (CID 11823196) is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate?
The canonical SMILES for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate is CCOC(=O)/C(C)=C/CC(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate?
The InChIKey is LFUZGNPFACRIAX-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-10-19-15(18)14(2)11-12-17(6,7)13-20-21(8,9)16(3,4)5/h11H,10,12-13H2,1-9H3/b14-11+.
What are the key properties of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate?
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate is sourced from PubChem (CID 11823196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).