[2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate

C157H256F6O26 — CID 160518970

About [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate

[2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate (PubChem CID 160518970) has the molecular formula C157H256F6O26 and a molecular weight of 2673.74 g/mol. Its IUPAC name is [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
• PubChem CID: 160518970
• Molecular Formula: C157H256F6O26
• Molecular Weight: 2673.74 g/mol
• Exact Mass: 2671.86
• IUPAC Name: [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(COC(=O)C(=C)CCO)CC1CCC(CCC2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)C1CCC(/C(F)=C(\F)C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)C1CCC(C(F)(F)C(F)(F)C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)CC1CCC(CCC2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCC(CCOC(=O)C(=C)CO)CC1CCC(OCCCC2CCC(CCCCC)CC2)CC1
• InChI: InChI=1S/C34H58O6.C32H54O5.C31H52O5.C30H46F4O5.C30H46F2O5/c1-5-6-7-9-28-11-13-29(14-12-28)10-8-21-38-32-17-15-30(16-18-32)24-31(19-22-39-33(36)26(2)3)20-23-40-34(37)27(4)25-35;1-5-6-7-8-26-9-11-27(12-10-26)13-14-28-15-17-29(18-16-28)21-30(22-36-31(34)24(2)3)23-37-32(35)25(4)19-20-33;1-5-6-7-8-25-9-11-26(12-10-25)13-14-27-15-17-28(18-16-27)19-29(21-35-30(33)23(2)3)22-36-31(34)24(4)20-32;1-5-6-7-8-22-9-13-25(14-10-22)29(31,32)30(33,34)26-15-11-23(12-16-26)24(18-38-27(36)20(2)3)19-39-28(37)21(4)17-35;1-5-6-7-8-22-9-11-24(12-10-22)27(31)28(32)25-15-13-23(14-16-25)26(18-36-29(34)20(2)3)19-37-30(35)21(4)17-33/h28-32,35H,2,4-25H2,1,3H3;26-30,33H,2,4-23H2,1,3H3;25-29,32H,2,4-22H2,1,3H3;22-26,35H,2,4-19H2,1,3H3;22-26,33H,2,4-19H2,1,3H3/b;;;;28-27+
• InChIKey: QUADUDSJCCAMNG-YSARHWAESA-N
• XLogP: 36.90
• TPSA: 373.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 82
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2673.74
LogP ≤ 5	36.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate?

The IUPAC name of [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate (CID 160518970) is [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate.

What is the SMILES notation for [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate?

The canonical SMILES for [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate is C=C(C)C(=O)OCC(COC(=O)C(=C)CCO)CC1CCC(CCC2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)C1CCC(/C(F)=C(\F)C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)C1CCC(C(F)(F)C(F)(F)C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCC(COC(=O)C(=C)CO)CC1CCC(CCC2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCC(CCOC(=O)C(=C)CO)CC1CCC(OCCCC2CCC(CCCCC)CC2)CC1.

What is the InChIKey of [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate?

The InChIKey is QUADUDSJCCAMNG-YSARHWAESA-N. The full InChI is InChI=1S/C34H58O6.C32H54O5.C31H52O5.C30H46F4O5.C30H46F2O5/c1-5-6-7-9-28-11-13-29(14-12-28)10-8-21-38-32-17-15-30(16-18-32)24-31(19-22-39-33(36)26(2)3)20-23-40-34(37)27(4)25-35;1-5-6-7-8-26-9-11-27(12-10-26)13-14-28-15-17-29(18-16-28)21-30(22-36-31(34)24(2)3)23-37-32(35)25(4)19-20-33;1-5-6-7-8-25-9-11-26(12-10-25)13-14-27-15-17-28(18-16-27)19-29(21-35-30(33)23(2)3)22-36-31(34)24(4)20-32;1-5-6-7-8-22-9-13-25(14-10-22)29(31,32)30(33,34)26-15-11-23(12-16-26)24(18-38-27(36)20(2)3)19-39-28(37)21(4)17-35;1-5-6-7-8-22-9-11-24(12-10-22)27(31)28(32)25-15-13-23(14-16-25)26(18-36-29(34)20(2)3)19-37-30(35)21(4)17-33/h28-32,35H,2,4-25H2,1,3H3;26-30,33H,2,4-23H2,1,3H3;25-29,32H,2,4-22H2,1,3H3;22-26,35H,2,4-19H2,1,3H3;22-26,33H,2,4-19H2,1,3H3/b;;;;28-27+.

What are the key properties of [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate?

[2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 2673.74 g/mol, XLogP of 36.90, 82 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(E)-1,2-difluoro-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 4-hydroxy-2-methylidenebutanoate;[2-(2-methylprop-2-enoyloxymethyl)-3-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate;[5-(2-methylprop-2-enoyloxy)-3-[[4-[3-(4-pentylcyclohexyl)propoxy]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-(2-methylprop-2-enoyloxy)-2-[4-[1,1,2,2-tetrafluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 160518970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).