3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate

C27H52O9Si4 — CID 166010478

IUPAC3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C
InChIInChI=1S/C27H52O9Si4/c1-11-21-40(34-37(5,6)22-15-18-31-25(28)12-2,35-38(7,8)23-16-19-32-26(29)13-3)36-39(9,10)24-17-20-33-27(30)14-4/h12-14H,2-4,11,15-24H2,1,5-10H3
InChIKeyNPKHQURSYHGKCO-UHFFFAOYSA-N
MW633.05 g/mol
LogP6.36
Rot. Bonds23

About 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate

3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate (PubChem CID 166010478) has the molecular formula C27H52O9Si4 and a molecular weight of 633.05 g/mol. Its IUPAC name is 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
PubChem CID166010478
Molecular FormulaC27H52O9Si4
Molecular Weight633.05 g/mol
Exact Mass632.27
IUPAC Name3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C
InChIInChI=1S/C27H52O9Si4/c1-11-21-40(34-37(5,6)22-15-18-31-25(28)12-2,35-38(7,8)23-16-19-32-26(29)13-3)36-39(9,10)24-17-20-33-27(30)14-4/h12-14H,2-4,11,15-24H2,1,5-10H3
InChIKeyNPKHQURSYHGKCO-UHFFFAOYSA-N
XLogP6.36
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.05
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-butanoyloxypropyl 5-tris[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]silylpentanoate
CID 167649893
3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
CID 141294200
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
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
3-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 150144614
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
CID 21305389

Frequently Asked Questions

What is the IUPAC name of 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate?
The IUPAC name of 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate (CID 166010478) is 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate?
The canonical SMILES for 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CCCOC(=O)C=C)O[Si](C)(C)CCCOC(=O)C=C.
What is the InChIKey of 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate?
The InChIKey is NPKHQURSYHGKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O9Si4/c1-11-21-40(34-37(5,6)22-15-18-31-25(28)12-2,35-38(7,8)23-16-19-32-26(29)13-3)36-39(9,10)24-17-20-33-27(30)14-4/h12-14H,2-4,11,15-24H2,1,5-10H3.
What are the key properties of 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate?
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate has a molecular weight of 633.05 g/mol, XLogP of 6.36, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate is sourced from PubChem (CID 166010478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).