tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate

C121H181F21O29S — CID 162102738

About tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate

tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 162102738) has the molecular formula C121H181F21O29S and a molecular weight of 2530.77 g/mol. Its IUPAC name is tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate
• PubChem CID: 162102738
• Molecular Formula: C121H181F21O29S
• Molecular Weight: 2530.77 g/mol
• Exact Mass: 2529.21
• IUPAC Name: tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OCC.C=CC(=O)OC.CC(=O)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CC(O)(C1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F
• InChI: InChI=1S/C17H25F3O3.C13H19F3O3.C12H14O8S.4C11H17F3O.C10H15F3O.C6H10O2.3C5H8O2.C4H6O2/c1-10(2)15(21)23-14-9-8-13(16(3,22)17(18,19)20)11-6-4-5-7-12(11)14;1-8(2)11(17)19-10-6-4-9(5-7-10)12(3,18)13(14,15)16;1-5(13)12(15)18-4-9(14)19-10-6-2-7-8(3-6)21(16,17)20-11(7)10;4*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-4-8-6(7)5(2)3;3*1-4(2)5(6)7-3;1-3-4(5)6-2/h11-14,22H,1,4-9H2,2-3H3;9-10,18H,1,4-7H2,2-3H3;6-8,10-11H,2-4H2,1H3;4*7-9,15H,2-6H2,1H3;6-8,14H,2-5H2,1H3;2,4H2,1,3H3;3*1H2,2-3H3;3H,1H2,2H3
• InChIKey: ZFCIQCCOGHPQKQ-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 438.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.77
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate?

The IUPAC name of tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate (CID 162102738) is tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate.

What is the SMILES notation for tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate?

The canonical SMILES for tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OCC.C=CC(=O)OC.CC(=O)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CC(O)(C1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.

What is the InChIKey of tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate?

The InChIKey is ZFCIQCCOGHPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O3.C13H19F3O3.C12H14O8S.4C11H17F3O.C10H15F3O.C6H10O2.3C5H8O2.C4H6O2/c1-10(2)15(21)23-14-9-8-13(16(3,22)17(18,19)20)11-6-4-5-7-12(11)14;1-8(2)11(17)19-10-6-4-9(5-7-10)12(3,18)13(14,15)16;1-5(13)12(15)18-4-9(14)19-10-6-2-7-8(3-6)21(16,17)20-11(7)10;4*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-4-8-6(7)5(2)3;3*1-4(2)5(6)7-3;1-3-4(5)6-2/h11-14,22H,1,4-9H2,2-3H3;9-10,18H,1,4-7H2,2-3H3;6-8,10-11H,2-4H2,1H3;4*7-9,15H,2-6H2,1H3;6-8,14H,2-5H2,1H3;2,4H2,1,3H3;3*1H2,2-3H3;3H,1H2,2H3.

What are the key properties of tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate?

tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 2530.77 g/mol, XLogP of 25.07, 25 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-oxopropanoate;ethyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162102738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).