3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate

C36H66O13Si4 — CID 167649893

IUPAC3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
SMILESC=CC(=O)OCCC[Si](C)(C)O[Si](CCCCC(=O)OCCCOC(=O)CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C
InChIInChI=1S/C36H66O13Si4/c1-11-21-35(40)45-23-17-24-46-36(41)22-15-16-31-53(47-50(5,6)28-18-25-42-32(37)12-2,48-51(7,8)29-19-26-43-33(38)13-3)49-52(9,10)30-20-27-44-34(39)14-4/h12-14H,2-4,11,15-31H2,1,5-10H3
InChIKeyCKRVVBSUBVJIPZ-UHFFFAOYSA-N
MW819.25 g/mol
LogP7.40
Rot. Bonds32

About 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate

3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate (PubChem CID 167649893) has the molecular formula C36H66O13Si4 and a molecular weight of 819.25 g/mol. Its IUPAC name is 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate.

Molecular Properties

Compound Name3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
PubChem CID167649893
Molecular FormulaC36H66O13Si4
Molecular Weight819.25 g/mol
Exact Mass818.36
IUPAC Name3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
SMILESC=CC(=O)OCCC[Si](C)(C)O[Si](CCCCC(=O)OCCCOC(=O)CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C
InChIInChI=1S/C36H66O13Si4/c1-11-21-35(40)45-23-17-24-46-36(41)22-15-16-31-53(47-50(5,6)28-18-25-42-32(37)12-2,48-51(7,8)29-19-26-43-33(38)13-3)49-52(9,10)30-20-27-44-34(39)14-4/h12-14H,2-4,11,15-31H2,1,5-10H3
InChIKeyCKRVVBSUBVJIPZ-UHFFFAOYSA-N
XLogP7.40
TPSA159.19 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.25
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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'}

Analyze 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate with MolForge

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Related Compounds

3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
CID 141294200
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
2-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate
CID 158909029

Frequently Asked Questions

What is the IUPAC name of 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate?
The IUPAC name of 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate (CID 167649893) is 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate.
What is the SMILES notation for 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate?
The canonical SMILES for 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate is C=CC(=O)OCCC[Si](C)(C)O[Si](CCCCC(=O)OCCCOC(=O)CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C.
What is the InChIKey of 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate?
The InChIKey is CKRVVBSUBVJIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66O13Si4/c1-11-21-35(40)45-23-17-24-46-36(41)22-15-16-31-53(47-50(5,6)28-18-25-42-32(37)12-2,48-51(7,8)29-19-26-43-33(38)13-3)49-52(9,10)30-20-27-44-34(39)14-4/h12-14H,2-4,11,15-31H2,1,5-10H3.
What are the key properties of 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate?
3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate has a molecular weight of 819.25 g/mol, XLogP of 7.40, 32 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate is sourced from PubChem (CID 167649893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).