1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate

C148H236F24O36 — CID 159415067

IUPAC1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC(C)C1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(C)(OC(C)C(O)(C(F)(F)F)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCCC(C)(OC(C)C(C)(C)O)C1.C=C(C)C(=O)OC1CCCC1(CC)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC1CCCCC1(C)OC(C)C(C)(C)O.C=C(C)C(=O)OCC1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OCC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C18H29F3O4.2C17H27F3O4.C16H22F6O4.3C16H25F3O4.2C16H28O4/c1-7-17(25-13(5)16(6,23)18(19,20)21)9-8-14(10-17)12(4)24-15(22)11(2)3;1-10(2)14(21)23-11(3)13-7-8-15(5,9-13)24-12(4)16(6,22)17(18,19)20;1-6-16(24-12(4)15(5,22)17(18,19)20)8-7-13(9-16)10-23-14(21)11(2)3;1-9(2)12(23)25-11-5-7-13(4,8-6-11)26-10(3)14(24,15(17,18)19)16(20,21)22;1-10(2)13(20)22-9-12-6-7-14(4,8-12)23-11(3)15(5,21)16(17,18)19;1-6-15(23-11(4)14(5,21)16(17,18)19)8-7-12(9-15)22-13(20)10(2)3;1-6-15(23-11(4)14(5,21)16(17,18)19)9-7-8-12(15)22-13(20)10(2)3;1-11(2)14(17)19-13-8-7-9-16(6,10-13)20-12(3)15(4,5)18;1-11(2)14(17)19-13-9-7-8-10-16(13,6)20-12(3)15(4,5)18/h12-14,23H,2,7-10H2,1,3-6H3;11-13,22H,1,7-9H2,2-6H3;12-13,22H,2,6-10H2,1,3-5H3;10-11,24H,1,5-8H2,2-4H3;11-12,21H,1,6-9H2,2-5H3;2*11-12,21H,2,6-9H2,1,3-5H3;2*12-13,18H,1,7-10H2,2-6H3
InChIKeyLPBDODPKXYERFV-UHFFFAOYSA-N
MW3047.43 g/mol
LogP32.17
Rot. Bonds53

About 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate

1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate (PubChem CID 159415067) has the molecular formula C148H236F24O36 and a molecular weight of 3047.43 g/mol. Its IUPAC name is 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate
PubChem CID159415067
Molecular FormulaC148H236F24O36
Molecular Weight3047.43 g/mol
Exact Mass3045.63
IUPAC Name1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC(C)C1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(C)(OC(C)C(O)(C(F)(F)F)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCCC(C)(OC(C)C(C)(C)O)C1.C=C(C)C(=O)OC1CCCC1(CC)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC1CCCCC1(C)OC(C)C(C)(C)O.C=C(C)C(=O)OCC1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OCC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C18H29F3O4.2C17H27F3O4.C16H22F6O4.3C16H25F3O4.2C16H28O4/c1-7-17(25-13(5)16(6,23)18(19,20)21)9-8-14(10-17)12(4)24-15(22)11(2)3;1-10(2)14(21)23-11(3)13-7-8-15(5,9-13)24-12(4)16(6,22)17(18,19)20;1-6-16(24-12(4)15(5,22)17(18,19)20)8-7-13(9-16)10-23-14(21)11(2)3;1-9(2)12(23)25-11-5-7-13(4,8-6-11)26-10(3)14(24,15(17,18)19)16(20,21)22;1-10(2)13(20)22-9-12-6-7-14(4,8-12)23-11(3)15(5,21)16(17,18)19;1-6-15(23-11(4)14(5,21)16(17,18)19)8-7-12(9-15)22-13(20)10(2)3;1-6-15(23-11(4)14(5,21)16(17,18)19)9-7-8-12(15)22-13(20)10(2)3;1-11(2)14(17)19-13-8-7-9-16(6,10-13)20-12(3)15(4,5)18;1-11(2)14(17)19-13-9-7-8-10-16(13,6)20-12(3)15(4,5)18/h12-14,23H,2,7-10H2,1,3-6H3;11-13,22H,1,7-9H2,2-6H3;12-13,22H,2,6-10H2,1,3-5H3;10-11,24H,1,5-8H2,2-4H3;11-12,21H,1,6-9H2,2-5H3;2*11-12,21H,2,6-9H2,1,3-5H3;2*12-13,18H,1,7-10H2,2-6H3
InChIKeyLPBDODPKXYERFV-UHFFFAOYSA-N
XLogP32.17
TPSA501.84 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds53
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003047.43
LogP ≤ 532.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate (CID 159415067) is 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC(C)C1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(C)(OC(C)C(O)(C(F)(F)F)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCCC(C)(OC(C)C(C)(C)O)C1.C=C(C)C(=O)OC1CCCC1(CC)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC1CCCCC1(C)OC(C)C(C)(C)O.C=C(C)C(=O)OCC1CCC(C)(OC(C)C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OCC1CCC(CC)(OC(C)C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate?
The InChIKey is LPBDODPKXYERFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O4.2C17H27F3O4.C16H22F6O4.3C16H25F3O4.2C16H28O4/c1-7-17(25-13(5)16(6,23)18(19,20)21)9-8-14(10-17)12(4)24-15(22)11(2)3;1-10(2)14(21)23-11(3)13-7-8-15(5,9-13)24-12(4)16(6,22)17(18,19)20;1-6-16(24-12(4)15(5,22)17(18,19)20)8-7-13(9-16)10-23-14(21)11(2)3;1-9(2)12(23)25-11-5-7-13(4,8-6-11)26-10(3)14(24,15(17,18)19)16(20,21)22;1-10(2)13(20)22-9-12-6-7-14(4,8-12)23-11(3)15(5,21)16(17,18)19;1-6-15(23-11(4)14(5,21)16(17,18)19)8-7-12(9-15)22-13(20)10(2)3;1-6-15(23-11(4)14(5,21)16(17,18)19)9-7-8-12(15)22-13(20)10(2)3;1-11(2)14(17)19-13-8-7-9-16(6,10-13)20-12(3)15(4,5)18;1-11(2)14(17)19-13-9-7-8-10-16(13,6)20-12(3)15(4,5)18/h12-14,23H,2,7-10H2,1,3-6H3;11-13,22H,1,7-9H2,2-6H3;12-13,22H,2,6-10H2,1,3-5H3;10-11,24H,1,5-8H2,2-4H3;11-12,21H,1,6-9H2,2-5H3;2*11-12,21H,2,6-9H2,1,3-5H3;2*12-13,18H,1,7-10H2,2-6H3.
What are the key properties of 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate?
1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate has a molecular weight of 3047.43 g/mol, XLogP of 32.17, 53 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl] 2-methylprop-2-enoate;[2-(3-hydroxy-3-methylbutan-2-yl)oxy-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(3-hydroxy-3-methylbutan-2-yl)oxy-3-methylcyclohexyl] 2-methylprop-2-enoate;1-[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]ethyl 2-methylprop-2-enoate;[3-methyl-3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]methyl 2-methylprop-2-enoate;[4-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxycyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).