[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate

C21H36O10Si — CID 158909029

IUPAC[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate
SMILESC=CC(=O)OCCCOCC(COC(=O)C=C)COC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H36O10Si/c1-6-19(22)29-13-10-12-28-15-18(16-30-20(23)7-2)17-31-21(24)11-8-9-14-32(25-3,26-4)27-5/h6-7,18H,1-2,8-17H2,3-5H3
InChIKeyJGKFXEUJNZZUND-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.06
Rot. Bonds20

About [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate

[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate (PubChem CID 158909029) has the molecular formula C21H36O10Si and a molecular weight of 476.60 g/mol. Its IUPAC name is [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate.

Molecular Properties

Compound Name[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate
PubChem CID158909029
Molecular FormulaC21H36O10Si
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate
SMILESC=CC(=O)OCCCOCC(COC(=O)C=C)COC(=O)CCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H36O10Si/c1-6-19(22)29-13-10-12-28-15-18(16-30-20(23)7-2)17-31-21(24)11-8-9-14-32(25-3,26-4)27-5/h6-7,18H,1-2,8-17H2,3-5H3
InChIKeyJGKFXEUJNZZUND-UHFFFAOYSA-N
XLogP2.06
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
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-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
CID 167649893
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
[2-hydroxy-3-(4-prop-2-enoyloxybutoxy)propyl] 6-(2,2-dimethylbutanoyloxy)hexanoate
CID 153490947
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925

Frequently Asked Questions

What is the IUPAC name of [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate?
The IUPAC name of [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate (CID 158909029) is [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate.
What is the SMILES notation for [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate?
The canonical SMILES for [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate is C=CC(=O)OCCCOCC(COC(=O)C=C)COC(=O)CCCC[Si](OC)(OC)OC.
What is the InChIKey of [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate?
The InChIKey is JGKFXEUJNZZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O10Si/c1-6-19(22)29-13-10-12-28-15-18(16-30-20(23)7-2)17-31-21(24)11-8-9-14-32(25-3,26-4)27-5/h6-7,18H,1-2,8-17H2,3-5H3.
What are the key properties of [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate?
[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate has a molecular weight of 476.60 g/mol, XLogP of 2.06, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate is sourced from PubChem (CID 158909029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).