ethyl 5-trimethylsilylhexa-3,4-dienoate

C11H20O2Si — CID 14691754

IUPACethyl 5-trimethylsilylhexa-3,4-dienoate
SMILESCCOC(=O)CC=C=C(C)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-13-11(12)9-7-8-10(2)14(3,4)5/h7H,6,9H2,1-5H3
InChIKeyUJJAXWTZWZAFBQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.92
Rot. Bonds4

About ethyl 5-trimethylsilylhexa-3,4-dienoate

ethyl 5-trimethylsilylhexa-3,4-dienoate (PubChem CID 14691754) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is ethyl 5-trimethylsilylhexa-3,4-dienoate.

Molecular Properties

Compound Nameethyl 5-trimethylsilylhexa-3,4-dienoate
PubChem CID14691754
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nameethyl 5-trimethylsilylhexa-3,4-dienoate
SMILESCCOC(=O)CC=C=C(C)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-13-11(12)9-7-8-10(2)14(3,4)5/h7H,6,9H2,1-5H3
InChIKeyUJJAXWTZWZAFBQ-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979604
Propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979605
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590

Frequently Asked Questions

What is the IUPAC name of ethyl 5-trimethylsilylhexa-3,4-dienoate?
The IUPAC name of ethyl 5-trimethylsilylhexa-3,4-dienoate (CID 14691754) is ethyl 5-trimethylsilylhexa-3,4-dienoate.
What is the SMILES notation for ethyl 5-trimethylsilylhexa-3,4-dienoate?
The canonical SMILES for ethyl 5-trimethylsilylhexa-3,4-dienoate is CCOC(=O)CC=C=C(C)[Si](C)(C)C.
What is the InChIKey of ethyl 5-trimethylsilylhexa-3,4-dienoate?
The InChIKey is UJJAXWTZWZAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-13-11(12)9-7-8-10(2)14(3,4)5/h7H,6,9H2,1-5H3.
What are the key properties of ethyl 5-trimethylsilylhexa-3,4-dienoate?
ethyl 5-trimethylsilylhexa-3,4-dienoate has a molecular weight of 212.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-trimethylsilylhexa-3,4-dienoate is sourced from PubChem (CID 14691754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).