2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate

C16H32O4Si — CID 21432018

IUPAC2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](CC)(OCCCC)OCCCC
InChIInChI=1S/C16H32O4Si/c1-6-9-11-19-21(8-3,20-12-10-7-2)14-13-18-16(17)15(4)5/h4,6-14H2,1-3,5H3
InChIKeyCHKOAXHCIPKATD-UHFFFAOYSA-N
MW316.51 g/mol
LogP4.20
Rot. Bonds13

About 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate

2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate (PubChem CID 21432018) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
PubChem CID21432018
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](CC)(OCCCC)OCCCC
InChIInChI=1S/C16H32O4Si/c1-6-9-11-19-21(8-3,20-12-10-7-2)14-13-18-16(17)15(4)5/h4,6-14H2,1-3,5H3
InChIKeyCHKOAXHCIPKATD-UHFFFAOYSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-tributoxysilylethyl 2-methylprop-2-enoate
CID 21432006
2-[butyl(diethoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977821
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851

Frequently Asked Questions

What is the IUPAC name of 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate (CID 21432018) is 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[Si](CC)(OCCCC)OCCCC.
What is the InChIKey of 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate?
The InChIKey is CHKOAXHCIPKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-6-9-11-19-21(8-3,20-12-10-7-2)14-13-18-16(17)15(4)5/h4,6-14H2,1-3,5H3.
What are the key properties of 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate?
2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate has a molecular weight of 316.51 g/mol, XLogP of 4.20, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).