2-[butoxy(diethyl)silyl]ethyl prop-2-enoate

C13H26O3Si — CID 151526512

IUPAC2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](CC)(CC)OCCCC
InChIInChI=1S/C13H26O3Si/c1-5-9-10-16-17(7-3,8-4)12-11-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyPVOJIKCHIFLLEY-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds10

About 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate

2-[butoxy(diethyl)silyl]ethyl prop-2-enoate (PubChem CID 151526512) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
PubChem CID151526512
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCC[Si](CC)(CC)OCCCC
InChIInChI=1S/C13H26O3Si/c1-5-9-10-16-17(7-3,8-4)12-11-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyPVOJIKCHIFLLEY-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
2-[ethoxy(diethyl)silyl]ethyl prop-2-enoate
CID 140668278
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
2-[ethyl(dipropoxy)silyl]ethyl prop-2-enoate
CID 21432014
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370

Frequently Asked Questions

What is the IUPAC name of 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate?
The IUPAC name of 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate (CID 151526512) is 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate is C=CC(=O)OCC[Si](CC)(CC)OCCCC.
What is the InChIKey of 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate?
The InChIKey is PVOJIKCHIFLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-5-9-10-16-17(7-3,8-4)12-11-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate?
2-[butoxy(diethyl)silyl]ethyl prop-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butoxy(diethyl)silyl]ethyl prop-2-enoate is sourced from PubChem (CID 151526512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).