3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate

C18H36O5Si — CID 139908438

IUPAC3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC(C)C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C18H36O5Si/c1-8-18(19)20-10-9-11-24(21-12-15(2)3,22-13-16(4)5)23-14-17(6)7/h8,15-17H,1,9-14H2,2-7H3
InChIKeyBGEWNVCRABDRIZ-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.06
Rot. Bonds14

About 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate

3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate (PubChem CID 139908438) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
PubChem CID139908438
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC(C)C)(OCC(C)C)OCC(C)C
InChIInChI=1S/C18H36O5Si/c1-8-18(19)20-10-9-11-24(21-12-15(2)3,22-13-16(4)5)23-14-17(6)7/h8,15-17H,1,9-14H2,2-7H3
InChIKeyBGEWNVCRABDRIZ-UHFFFAOYSA-N
XLogP4.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.06
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

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
CID 150833638
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122

Frequently Asked Questions

What is the IUPAC name of 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate (CID 139908438) is 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](OCC(C)C)(OCC(C)C)OCC(C)C.
What is the InChIKey of 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate?
The InChIKey is BGEWNVCRABDRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-8-18(19)20-10-9-11-24(21-12-15(2)3,22-13-16(4)5)23-14-17(6)7/h8,15-17H,1,9-14H2,2-7H3.
What are the key properties of 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate?
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate is sourced from PubChem (CID 139908438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).