2-tributoxysilylethyl 2-methylprop-2-enoate

C18H36O5Si — CID 21432006

IUPAC2-tributoxysilylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C18H36O5Si/c1-6-9-12-21-24(22-13-10-7-2,23-14-11-8-3)16-15-20-18(19)17(4)5/h4,6-16H2,1-3,5H3
InChIKeyKEKZQDIWWOXOGH-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.49
Rot. Bonds16

About 2-tributoxysilylethyl 2-methylprop-2-enoate

2-tributoxysilylethyl 2-methylprop-2-enoate (PubChem CID 21432006) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 2-tributoxysilylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-tributoxysilylethyl 2-methylprop-2-enoate
PubChem CID21432006
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name2-tributoxysilylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C18H36O5Si/c1-6-9-12-21-24(22-13-10-7-2,23-14-11-8-3)16-15-20-18(19)17(4)5/h4,6-16H2,1-3,5H3
InChIKeyKEKZQDIWWOXOGH-UHFFFAOYSA-N
XLogP4.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]-pentylsilyl]oxyethyl 2-methylprop-2-enoate
CID 101194851
2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
CID 21432018
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
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
2-tris(tripropylsilyloxy)silylethyl 2-methylprop-2-enoate
CID 171058419
2-[butyl(diethoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977821
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698

Frequently Asked Questions

What is the IUPAC name of 2-tributoxysilylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-tributoxysilylethyl 2-methylprop-2-enoate (CID 21432006) is 2-tributoxysilylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-tributoxysilylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-tributoxysilylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 2-tributoxysilylethyl 2-methylprop-2-enoate?
The InChIKey is KEKZQDIWWOXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-6-9-12-21-24(22-13-10-7-2,23-14-11-8-3)16-15-20-18(19)17(4)5/h4,6-16H2,1-3,5H3.
What are the key properties of 2-tributoxysilylethyl 2-methylprop-2-enoate?
2-tributoxysilylethyl 2-methylprop-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.49, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributoxysilylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21432006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).