3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate

C143H190FNO22 — CID 165051967

IUPAC3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2c(C)cc(CCCCCCCC)cc2C)ccc1CCOCC1CCC(=O)CC1.C=C(C)C(=O)OCCc1cc(-c2ccc(CCCCCCC)cc2CCOC(=O)C(=C)C)ccc1OCCOc1ccccn1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCC)cc2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCCCCC)cc2F)ccc1OCC1(CC)COC(=O)OC1
InChIInChI=1S/C38H47NO6.C38H54O4.C36H49FO6.C31H40O6/c1-6-7-8-9-10-13-30-15-17-34(32(26-30)19-22-44-37(40)28(2)3)31-16-18-35(33(27-31)20-23-45-38(41)29(4)5)42-24-25-43-36-14-11-12-21-39-36;1-6-7-8-9-10-11-13-32-24-29(4)37(30(5)25-32)35-18-17-33(21-23-41-27-31-15-19-36(39)20-16-31)34(26-35)14-12-22-42-38(40)28(2)3;1-5-7-8-9-10-11-12-13-14-15-16-28-17-19-31(32(37)21-28)29-18-20-33(30(22-29)23-40-34(38)27(3)4)41-24-36(6-2)25-42-35(39)43-26-36;1-4-5-6-7-8-9-10-11-24-12-14-26(15-13-24)27-16-17-29(28(18-27)22-35-30(32)23(2)3)34-19-25-20-36-31(33)37-21-25/h11-12,14-18,21,26-27H,2,4,6-10,13,19-20,22-25H2,1,3,5H3;17-18,24-26,31H,2,6-16,19-23,27H2,1,3-5H3;17-22H,3,5-16,23-26H2,1-2,4H3;12-18,25H,2,4-11,19-22H2,1,3H3
InChIKeyPULSZYVAZPNXOL-UHFFFAOYSA-N
MW2294.08 g/mol
LogP34.23
Rot. Bonds72

About 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate

3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 165051967) has the molecular formula C143H190FNO22 and a molecular weight of 2294.08 g/mol. Its IUPAC name is 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate
PubChem CID165051967
Molecular FormulaC143H190FNO22
Molecular Weight2294.08 g/mol
Exact Mass2292.38
IUPAC Name3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2c(C)cc(CCCCCCCC)cc2C)ccc1CCOCC1CCC(=O)CC1.C=C(C)C(=O)OCCc1cc(-c2ccc(CCCCCCC)cc2CCOC(=O)C(=C)C)ccc1OCCOc1ccccn1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCC)cc2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCCCCC)cc2F)ccc1OCC1(CC)COC(=O)OC1
InChIInChI=1S/C38H47NO6.C38H54O4.C36H49FO6.C31H40O6/c1-6-7-8-9-10-13-30-15-17-34(32(26-30)19-22-44-37(40)28(2)3)31-16-18-35(33(27-31)20-23-45-38(41)29(4)5)42-24-25-43-36-14-11-12-21-39-36;1-6-7-8-9-10-11-13-32-24-29(4)37(30(5)25-32)35-18-17-33(21-23-41-27-31-15-19-36(39)20-16-31)34(26-35)14-12-22-42-38(40)28(2)3;1-5-7-8-9-10-11-12-13-14-15-16-28-17-19-31(32(37)21-28)29-18-20-33(30(22-29)23-40-34(38)27(3)4)41-24-36(6-2)25-42-35(39)43-26-36;1-4-5-6-7-8-9-10-11-24-12-14-26(15-13-24)27-16-17-29(28(18-27)22-35-30(32)23(2)3)34-19-25-20-36-31(33)37-21-25/h11-12,14-18,21,26-27H,2,4,6-10,13,19-20,22-25H2,1,3,5H3;17-18,24-26,31H,2,6-16,19-23,27H2,1,3-5H3;17-22H,3,5-16,23-26H2,1-2,4H3;12-18,25H,2,4-11,19-22H2,1,3H3
InChIKeyPULSZYVAZPNXOL-UHFFFAOYSA-N
XLogP34.23
TPSA278.67 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds72
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002294.08
LogP ≤ 534.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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'}

Analyze 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate (CID 165051967) is 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1cc(-c2c(C)cc(CCCCCCCC)cc2C)ccc1CCOCC1CCC(=O)CC1.C=C(C)C(=O)OCCc1cc(-c2ccc(CCCCCCC)cc2CCOC(=O)C(=C)C)ccc1OCCOc1ccccn1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCC)cc2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCc1cc(-c2ccc(CCCCCCCCCCCC)cc2F)ccc1OCC1(CC)COC(=O)OC1.
What is the InChIKey of 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is PULSZYVAZPNXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47NO6.C38H54O4.C36H49FO6.C31H40O6/c1-6-7-8-9-10-13-30-15-17-34(32(26-30)19-22-44-37(40)28(2)3)31-16-18-35(33(27-31)20-23-45-38(41)29(4)5)42-24-25-43-36-14-11-12-21-39-36;1-6-7-8-9-10-11-13-32-24-29(4)37(30(5)25-32)35-18-17-33(21-23-41-27-31-15-19-36(39)20-16-31)34(26-35)14-12-22-42-38(40)28(2)3;1-5-7-8-9-10-11-12-13-14-15-16-28-17-19-31(32(37)21-28)29-18-20-33(30(22-29)23-40-34(38)27(3)4)41-24-36(6-2)25-42-35(39)43-26-36;1-4-5-6-7-8-9-10-11-24-12-14-26(15-13-24)27-16-17-29(28(18-27)22-35-30(32)23(2)3)34-19-25-20-36-31(33)37-21-25/h11-12,14-18,21,26-27H,2,4,6-10,13,19-20,22-25H2,1,3,5H3;17-18,24-26,31H,2,6-16,19-23,27H2,1,3-5H3;17-22H,3,5-16,23-26H2,1-2,4H3;12-18,25H,2,4-11,19-22H2,1,3H3.
What are the key properties of 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate?
3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 2294.08 g/mol, XLogP of 34.23, 72 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dimethyl-4-octylphenyl)-2-[2-[(4-oxocyclohexyl)methoxy]ethyl]phenyl]propyl 2-methylprop-2-enoate;[5-(4-dodecyl-2-fluorophenyl)-2-[(5-ethyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate;2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(2-pyridin-2-yloxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate;[5-(4-nonylphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 165051967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).