ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate

C12H24O3Si — CID 123957651

IUPACethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate
SMILESCCOC(=O)C(C)CC=C(C)O[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-14-12(13)10(2)8-9-11(3)15-16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyJXVQSYFGPAPTFR-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.33
Rot. Bonds6

About ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate

ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate (PubChem CID 123957651) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate
PubChem CID123957651
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate
SMILESCCOC(=O)C(C)CC=C(C)O[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-14-12(13)10(2)8-9-11(3)15-16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyJXVQSYFGPAPTFR-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate?
The IUPAC name of ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate (CID 123957651) is ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate.
What is the SMILES notation for ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate?
The canonical SMILES for ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate is CCOC(=O)C(C)CC=C(C)O[Si](C)(C)C.
What is the InChIKey of ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate?
The InChIKey is JXVQSYFGPAPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-14-12(13)10(2)8-9-11(3)15-16(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate?
ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-trimethylsilyloxyhex-4-enoate is sourced from PubChem (CID 123957651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).