3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one

C14H28O5Si — CID 151724691

IUPAC3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
SMILESC=C(C)C(=O)COCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12-14(15)13(4)5/h4,6-12H2,1-3,5H3
InChIKeyRJIBYPFGROOENX-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.59
Rot. Bonds13

About 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one

3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one (PubChem CID 151724691) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
PubChem CID151724691
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one
SMILESC=C(C)C(=O)COCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12-14(15)13(4)5/h4,6-12H2,1-3,5H3
InChIKeyRJIBYPFGROOENX-UHFFFAOYSA-N
XLogP2.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.59
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

3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
1-[butyl(dimethoxy)silyl]oxy-3-methylbut-3-en-2-one
CID 175561104
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070
2-[2-(3-triethoxysilylpropoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 152545568
2-methyl-N-(6-triethoxysilylhexyl)prop-2-enamide
CID 58330356
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one?
The IUPAC name of 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one (CID 151724691) is 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one.
What is the SMILES notation for 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one?
The canonical SMILES for 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one is C=C(C)C(=O)COCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one?
The InChIKey is RJIBYPFGROOENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12-14(15)13(4)5/h4,6-12H2,1-3,5H3.
What are the key properties of 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one?
3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one has a molecular weight of 304.46 g/mol, XLogP of 2.59, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-triethoxysilylpropoxy)but-3-en-2-one is sourced from PubChem (CID 151724691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).