bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol

C150H228F28O27 — CID 162028671

About bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol

bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol (PubChem CID 162028671) has the molecular formula C150H228F28O27 and a molecular weight of 2995.39 g/mol. Its IUPAC name is bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol.

Molecular Properties

• Compound Name: bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol
• PubChem CID: 162028671
• Molecular Formula: C150H228F28O27
• Molecular Weight: 2995.39 g/mol
• Exact Mass: 2993.60
• IUPAC Name: bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol
• SMILES: C=C(C)C(=C)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(CC(=O)OC)C(=O)OC.C=CC(=O)OC.C=COC.C=COC.C=COC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=COC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(F)CC2CCC1C2
• InChI: InChI=1S/C22H33F3O2.C19H29F3O2.C15H23F3O2.2C11H17F3O.4C8H11F3O.C7H11FO.C7H10O4.C6H10O2.2C5H8O2.C4H6O2.2C3H6O/c1-13(2)14(3)27-20-17-11-7-5-9-15(17)19(21(4,26)22(23,24)25)16-10-6-8-12-18(16)20;1-3-24-17-14-10-6-4-8-12(14)16(18(2,23)19(20,21)22)13-9-5-7-11-15(13)17;1-3-20-13-9-8-12(14(2,19)15(16,17)18)10-6-4-5-7-11(10)13;2*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;4*9-8(10,11)7(12)4-5-1-2-6(7)3-5;8-7(9)4-5-1-2-6(7)3-5;1-5(7(9)11-3)4-6(8)10-2;1-4-8-6(7)5(2)3;2*1-4(2)5(6)7-3;1-3-4(5)6-2;2*1-3-4-2/h15-20,26H,1,3,5-12H2,2,4H3;3,12-17,23H,1,4-11H2,2H3;3,10-13,19H,1,4-9H2,2H3;2*7-9,15H,2-6H2,1H3;4*5-6,12H,1-4H2;5-6,9H,1-4H2;1,4H2,2-3H3;2,4H2,1,3H3;2*1H2,2-3H3;3H,1H2,2H3;2*3H,1H2,2H3
• InChIKey: YVSOWKPTWJATRQ-UHFFFAOYSA-N
• XLogP: 36.02
• TPSA: 406.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2995.39
LogP ≤ 5	36.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol?

The IUPAC name of bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol (CID 162028671) is bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol.

What is the SMILES notation for bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol?

The canonical SMILES for bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol is C=C(C)C(=C)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(CC(=O)OC)C(=O)OC.C=CC(=O)OC.C=COC.C=COC.C=COC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=COC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(C(F)(F)F)CC2CCC1C2.OC1(F)CC2CCC1C2.

What is the InChIKey of bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol?

The InChIKey is YVSOWKPTWJATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3O2.C19H29F3O2.C15H23F3O2.2C11H17F3O.4C8H11F3O.C7H11FO.C7H10O4.C6H10O2.2C5H8O2.C4H6O2.2C3H6O/c1-13(2)14(3)27-20-17-11-7-5-9-15(17)19(21(4,26)22(23,24)25)16-10-6-8-12-18(16)20;1-3-24-17-14-10-6-4-8-12(14)16(18(2,23)19(20,21)22)13-9-5-7-11-15(13)17;1-3-20-13-9-8-12(14(2,19)15(16,17)18)10-6-4-5-7-11(10)13;2*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;4*9-8(10,11)7(12)4-5-1-2-6(7)3-5;8-7(9)4-5-1-2-6(7)3-5;1-5(7(9)11-3)4-6(8)10-2;1-4-8-6(7)5(2)3;2*1-4(2)5(6)7-3;1-3-4(5)6-2;2*1-3-4-2/h15-20,26H,1,3,5-12H2,2,4H3;3,12-17,23H,1,4-11H2,2H3;3,10-13,19H,1,4-9H2,2H3;2*7-9,15H,2-6H2,1H3;4*5-6,12H,1-4H2;5-6,9H,1-4H2;1,4H2,2-3H3;2,4H2,1,3H3;2*1H2,2-3H3;3H,1H2,2H3;2*3H,1H2,2H3.

What are the key properties of bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol?

bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol has a molecular weight of 2995.39 g/mol, XLogP of 36.02, 24 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);dimethyl 2-methylidenebutanedioate;2-(10-ethenoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)-1,1,1-trifluoropropan-2-ol;2-(4-ethenoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,1,1-trifluoropropan-2-ol;ethyl 2-methylprop-2-enoate;2-fluorobicyclo[2.2.1]heptan-2-ol;methoxyethene;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;tetrakis(2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);1,1,1-trifluoro-2-[10-(3-methylbuta-1,3-dien-2-yloxy)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]propan-2-ol is sourced from PubChem (CID 162028671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).