ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate

C13H24O3Si — CID 11777195

IUPACethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate
SMILESC=C(CCC/C=C/O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H24O3Si/c1-6-15-13(14)12(2)10-8-7-9-11-16-17(3,4)5/h9,11H,2,6-8,10H2,1,3-5H3/b11-9+
InChIKeyYTALRDYLDKRQMC-PKNBQFBNSA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds8

About ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate

ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate (PubChem CID 11777195) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate
PubChem CID11777195
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate
SMILESC=C(CCC/C=C/O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H24O3Si/c1-6-15-13(14)12(2)10-8-7-9-11-16-17(3,4)5/h9,11H,2,6-8,10H2,1,3-5H3/b11-9+
InChIKeyYTALRDYLDKRQMC-PKNBQFBNSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Hexanoic acid, 2-methylene-, ethyl ester
CID 3014221
Butyl-Menge Butylacrylat
CID 12684707
ethyl (2Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethylidene)hexanoate
CID 134922681
methyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 9990831
butyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 10038060
Ethyl 2-methylidenehept-6-enoate
CID 10964914
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11724843
ethyl (2E)-6-hydroxy-2-(trimethylsilylmethylidene)hexanoate
CID 11118281
Propyl 2-methylidenehexanoate
CID 12684704
Pentyl 2-methylidenehexanoate
CID 12684711
Prop-2-enyl 2-methylidenehexanoate
CID 12684715
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
CID 19880146

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate?
The IUPAC name of ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate (CID 11777195) is ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate.
What is the SMILES notation for ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate?
The canonical SMILES for ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate is C=C(CCC/C=C/O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate?
The InChIKey is YTALRDYLDKRQMC-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-15-13(14)12(2)10-8-7-9-11-16-17(3,4)5/h9,11H,2,6-8,10H2,1,3-5H3/b11-9+.
What are the key properties of ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate?
ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate has a molecular weight of 256.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate is sourced from PubChem (CID 11777195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).