trimethylsilyl (E)-2-ethylhept-4-enoate

C12H24O2Si — CID 176585229

IUPACtrimethylsilyl (E)-2-ethylhept-4-enoate
SMILESCC/C=C/CC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-9-10-11(7-2)12(13)14-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/b9-8+
InChIKeyOBIHVYTYXQOLQX-CMDGGOBGSA-N
MW228.41 g/mol
LogP3.75
Rot. Bonds6

About trimethylsilyl (E)-2-ethylhept-4-enoate

trimethylsilyl (E)-2-ethylhept-4-enoate (PubChem CID 176585229) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethylsilyl (E)-2-ethylhept-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-2-ethylhept-4-enoate
PubChem CID176585229
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrimethylsilyl (E)-2-ethylhept-4-enoate
SMILESCC/C=C/CC(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-8-9-10-11(7-2)12(13)14-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/b9-8+
InChIKeyOBIHVYTYXQOLQX-CMDGGOBGSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl (E)-2-ethylhept-4-enoate?
The IUPAC name of trimethylsilyl (E)-2-ethylhept-4-enoate (CID 176585229) is trimethylsilyl (E)-2-ethylhept-4-enoate.
What is the SMILES notation for trimethylsilyl (E)-2-ethylhept-4-enoate?
The canonical SMILES for trimethylsilyl (E)-2-ethylhept-4-enoate is CC/C=C/CC(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-2-ethylhept-4-enoate?
The InChIKey is OBIHVYTYXQOLQX-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-8-9-10-11(7-2)12(13)14-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/b9-8+.
What are the key properties of trimethylsilyl (E)-2-ethylhept-4-enoate?
trimethylsilyl (E)-2-ethylhept-4-enoate has a molecular weight of 228.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-2-ethylhept-4-enoate is sourced from PubChem (CID 176585229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).