6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate

C11H17O4Si- — CID 71402827

IUPAC6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate
SMILESC[Si](C)(C)CCOC(=O)C=CC=CC(=O)[O-]
InChIInChI=1S/C11H18O4Si/c1-16(2,3)9-8-15-11(14)7-5-4-6-10(12)13/h4-7H,8-9H2,1-3H3,(H,12,13)/p-1
InChIKeyWQBYLZMEOZTGIG-UHFFFAOYSA-M
MW241.34 g/mol
LogP0.73
Rot. Bonds6

About 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate

6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate (PubChem CID 71402827) has the molecular formula C11H17O4Si- and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate.

Molecular Properties

Compound Name6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate
PubChem CID71402827
Molecular FormulaC11H17O4Si-
Molecular Weight241.34 g/mol
Exact Mass241.09
IUPAC Name6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate
SMILESC[Si](C)(C)CCOC(=O)C=CC=CC(=O)[O-]
InChIInChI=1S/C11H18O4Si/c1-16(2,3)9-8-15-11(14)7-5-4-6-10(12)13/h4-7H,8-9H2,1-3H3,(H,12,13)/p-1
InChIKeyWQBYLZMEOZTGIG-UHFFFAOYSA-M
XLogP0.73
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-trimethylsilylethyl (E)-4-chloro-4-oxobut-2-enoate
CID 10082789
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
4-oxo-4-(3-trimethylsilylpropoxy)but-2-enoic acid
CID 91126449
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
CID 59904350
2-trimethylsilylethyl (E)-4-diethoxyphosphorylbut-2-enoate
CID 11001810
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
bis((Z)-but-2-enedioate);copper
CID 172736667
calcium (E)-4-ethoxy-4-oxobut-2-enoate
CID 22568505

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate?
The IUPAC name of 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate (CID 71402827) is 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate.
What is the SMILES notation for 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate?
The canonical SMILES for 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate is C[Si](C)(C)CCOC(=O)C=CC=CC(=O)[O-].
What is the InChIKey of 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate?
The InChIKey is WQBYLZMEOZTGIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18O4Si/c1-16(2,3)9-8-15-11(14)7-5-4-6-10(12)13/h4-7H,8-9H2,1-3H3,(H,12,13)/p-1.
What are the key properties of 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate?
6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate has a molecular weight of 241.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate is sourced from PubChem (CID 71402827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).