tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

C106H136F12N16O16Si4 — CID 159566784

IUPACtetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C26H35F3N4O2Si.2C25H33F3N4O2Si.4CO2/c1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)32-33(23)17-34-12-13-36(5,6)7;1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)33(32-23)17-34-12-13-36(5,6)7;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)31-32(23)16-33-11-12-35(4,5)6;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)32(31-23)16-33-11-12-35(4,5)6;4*2-1-3/h2*8-11,14-15H,12-13,16-17H2,1-7H3;2*7-10,13-14,17H,11-12,15-16H2,1-6H3;;;;
InChIKeyMHHKIVPVVKVVQL-UHFFFAOYSA-N
MW2230.67 g/mol
LogP25.17
Rot. Bonds38

About tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 159566784) has the molecular formula C106H136F12N16O16Si4 and a molecular weight of 2230.67 g/mol. Its IUPAC name is tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
PubChem CID159566784
Molecular FormulaC106H136F12N16O16Si4
Molecular Weight2230.67 g/mol
Exact Mass2228.92
IUPAC Nametetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C26H35F3N4O2Si.2C25H33F3N4O2Si.4CO2/c1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)32-33(23)17-34-12-13-36(5,6)7;1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)33(32-23)17-34-12-13-36(5,6)7;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)31-32(23)16-33-11-12-35(4,5)6;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)32(31-23)16-33-11-12-35(4,5)6;4*2-1-3/h2*8-11,14-15H,12-13,16-17H2,1-7H3;2*7-10,13-14,17H,11-12,15-16H2,1-6H3;;;;
InChIKeyMHHKIVPVVKVVQL-UHFFFAOYSA-N
XLogP25.17
TPSA384.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.67
LogP ≤ 525.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 159566784) is tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The InChIKey is MHHKIVPVVKVVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H35F3N4O2Si.2C25H33F3N4O2Si.4CO2/c1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)32-33(23)17-34-12-13-36(5,6)7;1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)33(32-23)17-34-12-13-36(5,6)7;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)31-32(23)16-33-11-12-35(4,5)6;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)32(31-23)16-33-11-12-35(4,5)6;4*2-1-3/h2*8-11,14-15H,12-13,16-17H2,1-7H3;2*7-10,13-14,17H,11-12,15-16H2,1-6H3;;;;.
What are the key properties of tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 2230.67 g/mol, XLogP of 25.17, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159566784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).