3-(3-triethoxysilylpropoxy)but-3-en-2-one

C13H26O5Si — CID 59428530

IUPAC3-(3-triethoxysilylpropoxy)but-3-en-2-one
SMILESC=C(OCCC[Si](OCC)(OCC)OCC)C(C)=O
InChIInChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(5)12(4)14/h5-11H2,1-4H3
InChIKeyWSUZESQMYWITGP-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.54
Rot. Bonds12

About 3-(3-triethoxysilylpropoxy)but-3-en-2-one

3-(3-triethoxysilylpropoxy)but-3-en-2-one (PubChem CID 59428530) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropoxy)but-3-en-2-one.

Molecular Properties

Compound Name3-(3-triethoxysilylpropoxy)but-3-en-2-one
PubChem CID59428530
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-(3-triethoxysilylpropoxy)but-3-en-2-one
SMILESC=C(OCCC[Si](OCC)(OCC)OCC)C(C)=O
InChIInChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(5)12(4)14/h5-11H2,1-4H3
InChIKeyWSUZESQMYWITGP-UHFFFAOYSA-N
XLogP2.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 151724691
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
4-triethoxysilylbutyl propanoate
CID 141347796
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845

Frequently Asked Questions

What is the IUPAC name of 3-(3-triethoxysilylpropoxy)but-3-en-2-one?
The IUPAC name of 3-(3-triethoxysilylpropoxy)but-3-en-2-one (CID 59428530) is 3-(3-triethoxysilylpropoxy)but-3-en-2-one.
What is the SMILES notation for 3-(3-triethoxysilylpropoxy)but-3-en-2-one?
The canonical SMILES for 3-(3-triethoxysilylpropoxy)but-3-en-2-one is C=C(OCCC[Si](OCC)(OCC)OCC)C(C)=O.
What is the InChIKey of 3-(3-triethoxysilylpropoxy)but-3-en-2-one?
The InChIKey is WSUZESQMYWITGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15-13(5)12(4)14/h5-11H2,1-4H3.
What are the key properties of 3-(3-triethoxysilylpropoxy)but-3-en-2-one?
3-(3-triethoxysilylpropoxy)but-3-en-2-one has a molecular weight of 290.43 g/mol, XLogP of 2.54, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropoxy)but-3-en-2-one is sourced from PubChem (CID 59428530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).