5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate

C13H26O4Si — CID 141250825

IUPAC5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-6-13(14)17-12(4)10-9-11-18(5,15-7-2)16-8-3/h6,12H,1,7-11H2,2-5H3
InChIKeyZKWXAZIUWVMUQB-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.03
Rot. Bonds10

About 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate

5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate (PubChem CID 141250825) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
PubChem CID141250825
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H26O4Si/c1-6-13(14)17-12(4)10-9-11-18(5,15-7-2)16-8-3/h6,12H,1,7-11H2,2-5H3
InChIKeyZKWXAZIUWVMUQB-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

6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
CID 174739183
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094

Frequently Asked Questions

What is the IUPAC name of 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate?
The IUPAC name of 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate (CID 141250825) is 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate.
What is the SMILES notation for 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate?
The canonical SMILES for 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCC[Si](C)(OCC)OCC.
What is the InChIKey of 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate?
The InChIKey is ZKWXAZIUWVMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-13(14)17-12(4)10-9-11-18(5,15-7-2)16-8-3/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate?
5-[diethoxy(methyl)silyl]pentan-2-yl prop-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 5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate is sourced from PubChem (CID 141250825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).