3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane

C55H130O11Si8 — CID 163486231

IUPAC3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane
SMILES[3H]CCC[Si](CCC[3H])(CCC[3H])CCC[Si](CCCOCC)(CCC[Si](CCC[3H])(CCC[3H])CCC[3H])CCC[Si](CCC[3H])(CCC[3H])CCC[3H].[3H]O[Si](CCC[Si](CCCOCC)(CCC[Si](O[3H])(O[3H])O[3H])CCC[Si](O[3H])(O[3H])O[3H])(O[3H])O[3H]
InChIInChI=1S/C41H92OSi4.C14H38O10Si4/c1-11-26-43(27-12-2,28-13-3)36-22-39-46(35-21-25-42-20-10,40-23-37-44(29-14-4,30-15-5)31-16-6)41-24-38-45(32-17-7,33-18-8)34-19-9;1-2-24-7-3-8-25(9-4-12-26(15,16)17,10-5-13-27(18,19)20)11-6-14-28(21,22)23/h11-41H2,1-10H3;15-23H,2-14H2,1H3/i1T,2T,3T,4T,5T,6T,7T,8T,9T;15T,16T,17T,18T,19T,20T,21T,22T,23T
InChIKeyCITWAJWXRBLSOC-MGKDRBODSA-N
MW1228.47 g/mol
LogP14.85
Rot. Bonds70

About 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane

3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane (PubChem CID 163486231) has the molecular formula C55H130O11Si8 and a molecular weight of 1228.47 g/mol. Its IUPAC name is 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane.

Molecular Properties

Compound Name3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane
PubChem CID163486231
Molecular FormulaC55H130O11Si8
Molecular Weight1228.47 g/mol
Exact Mass1226.92
IUPAC Name3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane
SMILES[3H]CCC[Si](CCC[3H])(CCC[3H])CCC[Si](CCCOCC)(CCC[Si](CCC[3H])(CCC[3H])CCC[3H])CCC[Si](CCC[3H])(CCC[3H])CCC[3H].[3H]O[Si](CCC[Si](CCCOCC)(CCC[Si](O[3H])(O[3H])O[3H])CCC[Si](O[3H])(O[3H])O[3H])(O[3H])O[3H]
InChIInChI=1S/C41H92OSi4.C14H38O10Si4/c1-11-26-43(27-12-2,28-13-3)36-22-39-46(35-21-25-42-20-10,40-23-37-44(29-14-4,30-15-5)31-16-6)41-24-38-45(32-17-7,33-18-8)34-19-9;1-2-24-7-3-8-25(9-4-12-26(15,16)17,10-5-13-27(18,19)20)11-6-14-28(21,22)23/h11-41H2,1-10H3;15-23H,2-14H2,1H3/i1T,2T,3T,4T,5T,6T,7T,8T,9T;15T,16T,17T,18T,19T,20T,21T,22T,23T
InChIKeyCITWAJWXRBLSOC-MGKDRBODSA-N
XLogP14.85
TPSA200.53 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds70
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001228.47
LogP ≤ 514.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane?
The IUPAC name of 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane (CID 163486231) is 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane.
What is the SMILES notation for 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane?
The canonical SMILES for 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane is [3H]CCC[Si](CCC[3H])(CCC[3H])CCC[Si](CCCOCC)(CCC[Si](CCC[3H])(CCC[3H])CCC[3H])CCC[Si](CCC[3H])(CCC[3H])CCC[3H].[3H]O[Si](CCC[Si](CCCOCC)(CCC[Si](O[3H])(O[3H])O[3H])CCC[Si](O[3H])(O[3H])O[3H])(O[3H])O[3H].
What is the InChIKey of 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane?
The InChIKey is CITWAJWXRBLSOC-MGKDRBODSA-N. The full InChI is InChI=1S/C41H92OSi4.C14H38O10Si4/c1-11-26-43(27-12-2,28-13-3)36-22-39-46(35-21-25-42-20-10,40-23-37-44(29-14-4,30-15-5)31-16-6)41-24-38-45(32-17-7,33-18-8)34-19-9;1-2-24-7-3-8-25(9-4-12-26(15,16)17,10-5-13-27(18,19)20)11-6-14-28(21,22)23/h11-41H2,1-10H3;15-23H,2-14H2,1H3/i1T,2T,3T,4T,5T,6T,7T,8T,9T;15T,16T,17T,18T,19T,20T,21T,22T,23T.
What are the key properties of 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane?
3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane has a molecular weight of 1228.47 g/mol, XLogP of 14.85, 70 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl-tris[3-[tris(3-tritiopropyl)silyl]propyl]silane;3-ethoxypropyl-tris(3-tritritiooxysilylpropyl)silane is sourced from PubChem (CID 163486231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).