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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)

C145H311F9O17Si4 — CID 161159454

About 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)

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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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) (PubChem CID 161159454) has the molecular formula C145H311F9O17Si4 and a molecular weight of 2610.39 g/mol. Its IUPAC name is 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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).

Molecular Properties

• Compound Name: 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)
• PubChem CID: 161159454
• Molecular Formula: C145H311F9O17Si4
• Molecular Weight: 2610.39 g/mol
• Exact Mass: 2608.24
• IUPAC Name: 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(C[Si](C)(C)C)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCC(C)CC1.CCC(C)(C)C(=O)OC(C)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)(C)C(=O)OCC[Si](C)(C)C.CCC(C)c1ccccc1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/2C16H30O2.C13H26Si.2C12H26O2Si.C11H14F6O.C11H24O2Si.C10H20O2.C10H14.C9H15F3O2.C7H14O2.18CH4/c1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;1-7-15(3,4)14(17)18-16(5,6)13-10-8-12(2)9-11-13;1-9-10(2)13-7-11(9)6-12(13)8-14(3,4)5;2*1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-7-11(2,3)10(12)13-8-9-14(4,5)6;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)10-7-5-4-6-8-10;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h2*12-13H,7-11H2,1-6H3;9-13H,6-8H2,1-5H3;2*7-10H2,1-6H3;6-8,18H,1-5H2;7-9H2,1-6H3;7H2,1-6H3;4-9H,3H2,1-2H3;6H,5H2,1-4H3;5H2,1-4H3;18*1H4
• InChIKey: UPSSRTWRQHLGQV-UHFFFAOYSA-N
• XLogP: 49.68
• TPSA: 230.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.39
LogP ≤ 5	49.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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'}

Frequently Asked Questions

What is the IUPAC name of 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)?

The IUPAC name of 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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 161159454) is 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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).

What is the SMILES notation for 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)?

The canonical SMILES for 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(C[Si](C)(C)C)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCC(C)CC1.CCC(C)(C)C(=O)OC(C)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)(C)C(=O)OCC[Si](C)(C)C.CCC(C)c1ccccc1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)?

The InChIKey is UPSSRTWRQHLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30O2.C13H26Si.2C12H26O2Si.C11H14F6O.C11H24O2Si.C10H20O2.C10H14.C9H15F3O2.C7H14O2.18CH4/c1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;1-7-15(3,4)14(17)18-16(5,6)13-10-8-12(2)9-11-13;1-9-10(2)13-7-11(9)6-12(13)8-14(3,4)5;2*1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-7-11(2,3)10(12)13-8-9-14(4,5)6;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)10-7-5-4-6-8-10;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h2*12-13H,7-11H2,1-6H3;9-13H,6-8H2,1-5H3;2*7-10H2,1-6H3;6-8,18H,1-5H2;7-9H2,1-6H3;7H2,1-6H3;4-9H,3H2,1-2H3;6H,5H2,1-4H3;5H2,1-4H3;18*1H4.

What are the key properties of 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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)?

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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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) has a molecular weight of 2610.39 g/mol, XLogP of 49.68, 37 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 2,2-dimethylbutanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;methane;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) is sourced from PubChem (CID 161159454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).