3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate

C31H82O24Si16 — CID 91151850

IUPAC3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC)(OCC)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2
InChIInChI=1S/C31H82O24Si16/c1-25-31(32)33-29-28-30-63(34-26-2,35-27-3)43-71-53-68(40-60(16,17)18)47-65(37-57(7,8)9)44-64(36-56(4,5)6)45-66(49-68,38-58(10,11)12)51-70(55-71,42-62(22,23)24)52-67(46-64,39-59(13,14)15)50-69(48-65,54-71)41-61(19,20)21/h25H,1,26-30H2,2-24H3
InChIKeyITFWHRNAOSVXOQ-UHFFFAOYSA-N
MW1288.35 g/mol
LogP6.85
Rot. Bonds25

About 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate

3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate (PubChem CID 91151850) has the molecular formula C31H82O24Si16 and a molecular weight of 1288.35 g/mol. Its IUPAC name is 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate
PubChem CID91151850
Molecular FormulaC31H82O24Si16
Molecular Weight1288.35 g/mol
Exact Mass1286.15
IUPAC Name3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC)(OCC)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2
InChIInChI=1S/C31H82O24Si16/c1-25-31(32)33-29-28-30-63(34-26-2,35-27-3)43-71-53-68(40-60(16,17)18)47-65(37-57(7,8)9)44-64(36-56(4,5)6)45-66(49-68,38-58(10,11)12)51-70(55-71,42-62(22,23)24)52-67(46-64,39-59(13,14)15)50-69(48-65,54-71)41-61(19,20)21/h25H,1,26-30H2,2-24H3
InChIKeyITFWHRNAOSVXOQ-UHFFFAOYSA-N
XLogP6.85
TPSA229.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.35
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate with MolForge

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Related Compounds

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate?
The IUPAC name of 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate (CID 91151850) is 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](OCC)(OCC)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2.
What is the InChIKey of 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate?
The InChIKey is ITFWHRNAOSVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H82O24Si16/c1-25-31(32)33-29-28-30-63(34-26-2,35-27-3)43-71-53-68(40-60(16,17)18)47-65(37-57(7,8)9)44-64(36-56(4,5)6)45-66(49-68,38-58(10,11)12)51-70(55-71,42-62(22,23)24)52-67(46-64,39-59(13,14)15)50-69(48-65,54-71)41-61(19,20)21/h25H,1,26-30H2,2-24H3.
What are the key properties of 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate?
3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate has a molecular weight of 1288.35 g/mol, XLogP of 6.85, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate is sourced from PubChem (CID 91151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).