2-[methyl(dipropoxy)silyl]ethyl but-2-enoate

C13H26O4Si — CID 141215928

IUPAC2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
SMILESCC=CC(=O)OCC[Si](C)(OCCC)OCCC
InChIInChI=1S/C13H26O4Si/c1-5-8-13(14)15-11-12-18(4,16-9-6-2)17-10-7-3/h5,8H,6-7,9-12H2,1-4H3
InChIKeyWYMWUSFBPYVKHC-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.03
Rot. Bonds10

About 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate

2-[methyl(dipropoxy)silyl]ethyl but-2-enoate (PubChem CID 141215928) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate.

Molecular Properties

Compound Name2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
PubChem CID141215928
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
SMILESCC=CC(=O)OCC[Si](C)(OCCC)OCCC
InChIInChI=1S/C13H26O4Si/c1-5-8-13(14)15-11-12-18(4,16-9-6-2)17-10-7-3/h5,8H,6-7,9-12H2,1-4H3
InChIKeyWYMWUSFBPYVKHC-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.03
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'}

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Related Compounds

3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
dodecyl (E)-but-2-enoate
CID 5462914
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
(methoxy-methyl-propylsilyl)methyl but-2-enoate
CID 140987503
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
3-[bis[[ethenyl(dimethyl)silyl]oxy]-methylsilyl]propyl but-2-enoate
CID 57240407
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate?
The IUPAC name of 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate (CID 141215928) is 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate.
What is the SMILES notation for 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate?
The canonical SMILES for 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate is CC=CC(=O)OCC[Si](C)(OCCC)OCCC.
What is the InChIKey of 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate?
The InChIKey is WYMWUSFBPYVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-5-8-13(14)15-11-12-18(4,16-9-6-2)17-10-7-3/h5,8H,6-7,9-12H2,1-4H3.
What are the key properties of 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate?
2-[methyl(dipropoxy)silyl]ethyl but-2-enoate has a molecular weight of 274.43 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(dipropoxy)silyl]ethyl but-2-enoate is sourced from PubChem (CID 141215928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).