bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)

C128H297F15O18Si11 — CID 159396295

IUPACbis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC1C1CCCC21)C(F)(F)F.CCC(C)(C(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1
InChIInChI=1S/C16H23F3O2.C16H27F3O2.2C12H19F3O2.C10H17F3O2.2C9H26O4Si4.3C8H20Si.20CH4/c1-3-15(2,16(17,18)19)14(20)21-13-8-9-7-12(13)11-6-4-5-10(9)11;1-6-15(5,16(17,18)19)13(20)21-12-9-7-11(8-10-12)14(2,3)4;2*1-3-11(2,12(13,14)15)10(16)17-9-7-5-4-6-8-9;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-8-9(2)17(7)12-15(3,4)10-14-11-16(5,6)13-17;3*1-6-8(2)7-9(3,4)5;;;;;;;;;;;;;;;;;;;;/h9-13H,3-8H2,1-2H3;11-12H,6-10H2,1-5H3;2*9H,3-8H2,1-2H3;6H2,1-5H3;2*9H,8,14H2,1-7H3;3*8H,6-7H2,1-5H3;20*1H4
InChIKeyLMTJCCMDFFABAK-UHFFFAOYSA-N
MW2718.68 g/mol
LogP47.95
Rot. Bonds27

About bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)

bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) (PubChem CID 159396295) has the molecular formula C128H297F15O18Si11 and a molecular weight of 2718.68 g/mol. Its IUPAC name is bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane).

Molecular Properties

Compound Namebis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)
PubChem CID159396295
Molecular FormulaC128H297F15O18Si11
Molecular Weight2718.68 g/mol
Exact Mass2715.95
IUPAC Namebis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC1C1CCCC21)C(F)(F)F.CCC(C)(C(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1
InChIInChI=1S/C16H23F3O2.C16H27F3O2.2C12H19F3O2.C10H17F3O2.2C9H26O4Si4.3C8H20Si.20CH4/c1-3-15(2,16(17,18)19)14(20)21-13-8-9-7-12(13)11-6-4-5-10(9)11;1-6-15(5,16(17,18)19)13(20)21-12-9-7-11(8-10-12)14(2,3)4;2*1-3-11(2,12(13,14)15)10(16)17-9-7-5-4-6-8-9;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-8-9(2)17(7)12-15(3,4)10-14-11-16(5,6)13-17;3*1-6-8(2)7-9(3,4)5;;;;;;;;;;;;;;;;;;;;/h9-13H,3-8H2,1-2H3;11-12H,6-10H2,1-5H3;2*9H,3-8H2,1-2H3;6H2,1-5H3;2*9H,8,14H2,1-7H3;3*8H,6-7H2,1-5H3;20*1H4
InChIKeyLMTJCCMDFFABAK-UHFFFAOYSA-N
XLogP47.95
TPSA205.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002718.68
LogP ≤ 547.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) with MolForge

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Related Compounds

1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane
CID 158611246
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
butan-2-yloxycyclohexane;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 169429935
tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,2,4-trimethylhexane
CID 169428052
butan-2-ylbenzene;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;2-(4-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate
CID 158258316
8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
CID 144690452
azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
CID 174404217
1,1,1,3,3,3-hexafluoropropan-2-yl 1-propan-2-yl-2-[3,5,6-trimethyl-5-(8-tricyclo[5.2.1.02,6]decanyloxycarbonyl)heptyl]cyclobutane-1-carboxylate
CID 146651600
2,2,4-trimethyl-4-(oxan-2-yloxycarbonyl)-6-(8-tricyclo[5.2.1.02,6]decanyloxycarbonyl)octanoic acid
CID 59083550
1-O,2-O-ditert-butyl 4-O-cyclohexyl 2,4-dimethylhexane-1,2,4-tricarboxylate
CID 22944820
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;butan-2-ylbenzene;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;2-(4-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
CID 161217410
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522

Frequently Asked Questions

What is the IUPAC name of bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)?
The IUPAC name of bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) (CID 159396295) is bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane).
What is the SMILES notation for bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)?
The canonical SMILES for bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC1C1CCCC21)C(F)(F)F.CCC(C)(C(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)(C(=O)OC1CCCCC1)C(F)(F)F.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)C[Si](C)(C)C.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1.CCC(C)[Si]1(C)O[Si](C)(C)O[SiH2]O[Si](C)(C)O1.
What is the InChIKey of bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)?
The InChIKey is LMTJCCMDFFABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2.C16H27F3O2.2C12H19F3O2.C10H17F3O2.2C9H26O4Si4.3C8H20Si.20CH4/c1-3-15(2,16(17,18)19)14(20)21-13-8-9-7-12(13)11-6-4-5-10(9)11;1-6-15(5,16(17,18)19)13(20)21-12-9-7-11(8-10-12)14(2,3)4;2*1-3-11(2,12(13,14)15)10(16)17-9-7-5-4-6-8-9;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-8-9(2)17(7)12-15(3,4)10-14-11-16(5,6)13-17;3*1-6-8(2)7-9(3,4)5;;;;;;;;;;;;;;;;;;;;/h9-13H,3-8H2,1-2H3;11-12H,6-10H2,1-5H3;2*9H,3-8H2,1-2H3;6H2,1-5H3;2*9H,8,14H2,1-7H3;3*8H,6-7H2,1-5H3;20*1H4.
What are the key properties of bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane)?
bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) has a molecular weight of 2718.68 g/mol, XLogP of 47.95, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butan-2-yl-2,2,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane);(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;bis(cyclohexyl 2-methyl-2-(trifluoromethyl)butanoate);methane;8-tricyclo[5.2.1.02,6]decanyl 2-methyl-2-(trifluoromethyl)butanoate;tris(trimethyl(2-methylbutyl)silane) is sourced from PubChem (CID 159396295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).