butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)

C107H205F9O17Si6 — CID 157072119

IUPACbutan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
SMILESCCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)C1CCCCC1.CCC(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCC(C)c1ccccc1.CCCOC(=O)C(C)(C)CC
InChIInChI=1S/C17H24F6O3.C16H30O2.2C12H26O2Si.C11H30O4Si4.C10H17F3O2.C10H20.C10H14.C9H18O2/c1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;2*1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-10-11(2)19(9)14-17(5,6)12-16(3,4)13-18(7,8)15-19;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-3-9(2)10-7-5-4-6-8-10;1-5-7-11-8(10)9(3,4)6-2/h9-12,25H,4-8H2,1-3H3;12-13H,7-11H2,1-6H3;2*7-10H2,1-6H3;11H,10H2,1-9H3;6H2,1-5H3;9-10H,3-8H2,1-2H3;4-9H,3H2,1-2H3;5-7H2,1-4H3
InChIKeyACNZVAXXUBDXDW-UHFFFAOYSA-N
MW2103.30 g/mol
LogP33.12
Rot. Bonds32

About butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)

butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) (PubChem CID 157072119) has the molecular formula C107H205F9O17Si6 and a molecular weight of 2103.30 g/mol. Its IUPAC name is butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate).

Molecular Properties

Compound Namebutan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
PubChem CID157072119
Molecular FormulaC107H205F9O17Si6
Molecular Weight2103.30 g/mol
Exact Mass2101.36
IUPAC Namebutan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
SMILESCCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)C1CCCCC1.CCC(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCC(C)c1ccccc1.CCCOC(=O)C(C)(C)CC
InChIInChI=1S/C17H24F6O3.C16H30O2.2C12H26O2Si.C11H30O4Si4.C10H17F3O2.C10H20.C10H14.C9H18O2/c1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;2*1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-10-11(2)19(9)14-17(5,6)12-16(3,4)13-18(7,8)15-19;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-3-9(2)10-7-5-4-6-8-10;1-5-7-11-8(10)9(3,4)6-2/h9-12,25H,4-8H2,1-3H3;12-13H,7-11H2,1-6H3;2*7-10H2,1-6H3;11H,10H2,1-9H3;6H2,1-5H3;9-10H,3-8H2,1-2H3;4-9H,3H2,1-2H3;5-7H2,1-4H3
InChIKeyACNZVAXXUBDXDW-UHFFFAOYSA-N
XLogP33.12
TPSA214.95 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.30
LogP ≤ 533.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

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'}

Analyze butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)?
The IUPAC name of butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) (CID 157072119) is butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate).
What is the SMILES notation for butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)?
The canonical SMILES for butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) is CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)C1CCCCC1.CCC(C)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.CCC(C)c1ccccc1.CCCOC(=O)C(C)(C)CC.
What is the InChIKey of butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)?
The InChIKey is ACNZVAXXUBDXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6O3.C16H30O2.2C12H26O2Si.C11H30O4Si4.C10H17F3O2.C10H20.C10H14.C9H18O2/c1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;2*1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-10-11(2)19(9)14-17(5,6)12-16(3,4)13-18(7,8)15-19;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;2*1-3-9(2)10-7-5-4-6-8-10;1-5-7-11-8(10)9(3,4)6-2/h9-12,25H,4-8H2,1-3H3;12-13H,7-11H2,1-6H3;2*7-10H2,1-6H3;11H,10H2,1-9H3;6H2,1-5H3;9-10H,3-8H2,1-2H3;4-9H,3H2,1-2H3;5-7H2,1-4H3.
What are the key properties of butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)?
butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) has a molecular weight of 2103.30 g/mol, XLogP of 33.12, 32 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;butan-2-ylcyclohexane;2-butan-2-yl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;propyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate) is sourced from PubChem (CID 157072119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).