ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate

C11H18O2Si — CID 164686219

IUPACethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate
SMILESC=C=C(/C=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-6-10(14(3,4)5)8-9-11(12)13-7-2/h8-9H,1,7H2,2-5H3/b9-8-
InChIKeyXLOHKMQMPQABPN-HJWRWDBZSA-N
MW210.35 g/mol
LogP2.69
Rot. Bonds4

About ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate

ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate (PubChem CID 164686219) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate.

Molecular Properties

Compound Nameethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate
PubChem CID164686219
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Nameethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate
SMILESC=C=C(/C=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-6-10(14(3,4)5)8-9-11(12)13-7-2/h8-9H,1,7H2,2-5H3/b9-8-
InChIKeyXLOHKMQMPQABPN-HJWRWDBZSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate?
The IUPAC name of ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate (CID 164686219) is ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate.
What is the SMILES notation for ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate?
The canonical SMILES for ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate is C=C=C(/C=C\C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate?
The InChIKey is XLOHKMQMPQABPN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-10(14(3,4)5)8-9-11(12)13-7-2/h8-9H,1,7H2,2-5H3/b9-8-.
What are the key properties of ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate?
ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate has a molecular weight of 210.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-4-trimethylsilylhexa-2,4,5-trienoate is sourced from PubChem (CID 164686219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).