methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate

C12H22O3Si — CID 10538148

IUPACmethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
SMILESC=C(/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyQWTAAAOWVGQXRJ-CMDGGOBGSA-N
MW242.39 g/mol
LogP3.25
Rot. Bonds4

About methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate

methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate (PubChem CID 10538148) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
PubChem CID10538148
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
SMILESC=C(/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-9H,1H2,2-7H3/b9-8+
InChIKeyQWTAAAOWVGQXRJ-CMDGGOBGSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.25
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
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
CID 102509762
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
2,4-Hexadienoic acid, tert-butyldimethylsilyl ester, (E,E)-
CID 5374163

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The IUPAC name of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate (CID 10538148) is methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate.
What is the SMILES notation for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The canonical SMILES for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate is C=C(/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
The InChIKey is QWTAAAOWVGQXRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-10(8-9-11(13)14-5)15-16(6,7)12(2,3)4/h8-9H,1H2,2-7H3/b9-8+.
What are the key properties of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate?
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate has a molecular weight of 242.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate is sourced from PubChem (CID 10538148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).