ethyl (Z)-3-trimethylsilyloxyhex-2-enoate

C11H22O3Si — CID 11117875

IUPACethyl (Z)-3-trimethylsilyloxyhex-2-enoate
SMILESCCC/C(=C/C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-8-10(14-15(3,4)5)9-11(12)13-7-2/h9H,6-8H2,1-5H3/b10-9-
InChIKeyFKHXHDVYQUHDMJ-KTKRTIGZSA-N
MW230.38 g/mol
LogP3.09
Rot. Bonds6

About ethyl (Z)-3-trimethylsilyloxyhex-2-enoate

ethyl (Z)-3-trimethylsilyloxyhex-2-enoate (PubChem CID 11117875) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is ethyl (Z)-3-trimethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-trimethylsilyloxyhex-2-enoate
PubChem CID11117875
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Nameethyl (Z)-3-trimethylsilyloxyhex-2-enoate
SMILESCCC/C(=C/C(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-8-10(14-15(3,4)5)9-11(12)13-7-2/h9H,6-8H2,1-5H3/b10-9-
InChIKeyFKHXHDVYQUHDMJ-KTKRTIGZSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (Z)-3-trimethylsilyloxyhex-2-enoate?
The IUPAC name of ethyl (Z)-3-trimethylsilyloxyhex-2-enoate (CID 11117875) is ethyl (Z)-3-trimethylsilyloxyhex-2-enoate.
What is the SMILES notation for ethyl (Z)-3-trimethylsilyloxyhex-2-enoate?
The canonical SMILES for ethyl (Z)-3-trimethylsilyloxyhex-2-enoate is CCC/C(=C/C(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-3-trimethylsilyloxyhex-2-enoate?
The InChIKey is FKHXHDVYQUHDMJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-6-8-10(14-15(3,4)5)9-11(12)13-7-2/h9H,6-8H2,1-5H3/b10-9-.
What are the key properties of ethyl (Z)-3-trimethylsilyloxyhex-2-enoate?
ethyl (Z)-3-trimethylsilyloxyhex-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-trimethylsilyloxyhex-2-enoate is sourced from PubChem (CID 11117875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).