3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate

C12H24O4Si — CID 141003620

IUPAC3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(OC)OCCC
InChIInChI=1S/C12H24O4Si/c1-5-8-12(13)15-10-7-11-17(4,14-3)16-9-6-2/h5,8H,6-7,9-11H2,1-4H3
InChIKeyFQGFDOVKRSQCFC-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds9

About 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate

3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate (PubChem CID 141003620) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate.

Molecular Properties

Compound Name3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
PubChem CID141003620
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(OC)OCCC
InChIInChI=1S/C12H24O4Si/c1-5-8-12(13)15-10-7-11-17(4,14-3)16-9-6-2/h5,8H,6-7,9-11H2,1-4H3
InChIKeyFQGFDOVKRSQCFC-UHFFFAOYSA-N
XLogP2.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.64
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

3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
CID 141215928
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-[bis[[ethenyl(dimethyl)silyl]oxy]-methylsilyl]propyl but-2-enoate
CID 57240407
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335
dodecyl (E)-but-2-enoate
CID 5462914

Frequently Asked Questions

What is the IUPAC name of 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate?
The IUPAC name of 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate (CID 141003620) is 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate.
What is the SMILES notation for 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate?
The canonical SMILES for 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate is CC=CC(=O)OCCC[Si](C)(OC)OCCC.
What is the InChIKey of 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate?
The InChIKey is FQGFDOVKRSQCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-8-12(13)15-10-7-11-17(4,14-3)16-9-6-2/h5,8H,6-7,9-11H2,1-4H3.
What are the key properties of 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate?
3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate has a molecular weight of 260.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate is sourced from PubChem (CID 141003620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).