3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate

C22H36O7Si — CID 57318763

IUPAC3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](CCCOC(=O)C=CC)(CCCOC(=O)C=CC)OC
InChIInChI=1S/C22H36O7Si/c1-5-11-20(23)27-14-8-17-30(26-4,18-9-15-28-21(24)12-6-2)19-10-16-29-22(25)13-7-3/h5-7,11-13H,8-10,14-19H2,1-4H3
InChIKeyORLWGPYIVFWFNZ-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.11
Rot. Bonds16

About 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate

3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate (PubChem CID 57318763) has the molecular formula C22H36O7Si and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
PubChem CID57318763
Molecular FormulaC22H36O7Si
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](CCCOC(=O)C=CC)(CCCOC(=O)C=CC)OC
InChIInChI=1S/C22H36O7Si/c1-5-11-20(23)27-14-8-17-30(26-4,18-9-15-28-21(24)12-6-2)19-10-16-29-22(25)13-7-3/h5-7,11-13H,8-10,14-19H2,1-4H3
InChIKeyORLWGPYIVFWFNZ-UHFFFAOYSA-N
XLogP4.11
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
4-trifluorosilylbutyl but-2-enoate
CID 174106149
8-trichlorosilyloctyl but-2-enoate
CID 174105922
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate?
The IUPAC name of 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate (CID 57318763) is 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate.
What is the SMILES notation for 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate?
The canonical SMILES for 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](CCCOC(=O)C=CC)(CCCOC(=O)C=CC)OC.
What is the InChIKey of 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate?
The InChIKey is ORLWGPYIVFWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O7Si/c1-5-11-20(23)27-14-8-17-30(26-4,18-9-15-28-21(24)12-6-2)19-10-16-29-22(25)13-7-3/h5-7,11-13H,8-10,14-19H2,1-4H3.
What are the key properties of 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate?
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate has a molecular weight of 440.61 g/mol, XLogP of 4.11, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate is sourced from PubChem (CID 57318763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).