methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate

C10H18O3Si — CID 134889218

IUPACmethyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate
SMILESC/C=C/C(=C/C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-8H,1-5H3/b7-6+,9-8-
InChIKeyPXZHCUROAGSGIJ-MUIOLIGRSA-N
MW214.34 g/mol
LogP2.47
Rot. Bonds4

About methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate

methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate (PubChem CID 134889218) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate
PubChem CID134889218
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Namemethyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate
SMILESC/C=C/C(=C/C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-8H,1-5H3/b7-6+,9-8-
InChIKeyPXZHCUROAGSGIJ-MUIOLIGRSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.47
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
6-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679171
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
CID 102509762
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
Ethyl 3-{[diethoxy(methyl)silyl]oxy}but-2-enoate
CID 102398
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 12772798
4-Trimethylsilyloxypyran-2-one
CID 13679169
methyl (E)-4-tri(propan-2-yl)silyloxybut-2-enoate
CID 24754731

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate?
The IUPAC name of methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate (CID 134889218) is methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate is C/C=C/C(=C/C(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate?
The InChIKey is PXZHCUROAGSGIJ-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-6-7-9(8-10(11)12-2)13-14(3,4)5/h6-8H,1-5H3/b7-6+,9-8-.
What are the key properties of methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate?
methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate has a molecular weight of 214.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E)-3-trimethylsilyloxyhexa-2,4-dienoate is sourced from PubChem (CID 134889218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).