3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate

C150H180O16 — CID 160705240

IUPAC3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C
InChIInChI=1S/C39H48O4.C38H46O4.C37H44O4.C36H42O4/c1-8-10-13-30-16-18-32(19-17-30)35-20-21-37(31(9-2)24-35)36-25-33(14-11-22-42-38(40)27(3)4)29(7)34(26-36)15-12-23-43-39(41)28(5)6;1-8-12-29-15-17-31(18-16-29)34-19-20-36(30(9-2)23-34)35-24-32(13-10-21-41-37(39)26(3)4)28(7)33(25-35)14-11-22-42-38(40)27(5)6;1-8-28-14-16-30(17-15-28)33-18-19-35(29(9-2)22-33)34-23-31(12-10-20-40-36(38)25(3)4)27(7)32(24-34)13-11-21-41-37(39)26(5)6;1-8-28-21-32(29-15-13-26(6)14-16-29)17-18-34(28)33-22-30(11-9-19-39-35(37)24(2)3)27(7)31(23-33)12-10-20-40-36(38)25(4)5/h16-21,24-26H,3,5,8-15,22-23H2,1-2,4,6-7H3;15-20,23-25H,3,5,8-14,21-22H2,1-2,4,6-7H3;14-19,22-24H,3,5,8-13,20-21H2,1-2,4,6-7H3;13-18,21-23H,2,4,8-12,19-20H2,1,3,5-7H3
InChIKeyRRDGDYRNBDRWIG-UHFFFAOYSA-N
MW2239.07 g/mol
LogP35.15
Rot. Bonds58

About 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate

3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate (PubChem CID 160705240) has the molecular formula C150H180O16 and a molecular weight of 2239.07 g/mol. Its IUPAC name is 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
PubChem CID160705240
Molecular FormulaC150H180O16
Molecular Weight2239.07 g/mol
Exact Mass2237.33
IUPAC Name3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C
InChIInChI=1S/C39H48O4.C38H46O4.C37H44O4.C36H42O4/c1-8-10-13-30-16-18-32(19-17-30)35-20-21-37(31(9-2)24-35)36-25-33(14-11-22-42-38(40)27(3)4)29(7)34(26-36)15-12-23-43-39(41)28(5)6;1-8-12-29-15-17-31(18-16-29)34-19-20-36(30(9-2)23-34)35-24-32(13-10-21-41-37(39)26(3)4)28(7)33(25-35)14-11-22-42-38(40)27(5)6;1-8-28-14-16-30(17-15-28)33-18-19-35(29(9-2)22-33)34-23-31(12-10-20-40-36(38)25(3)4)27(7)32(24-34)13-11-21-41-37(39)26(5)6;1-8-28-21-32(29-15-13-26(6)14-16-29)17-18-34(28)33-22-30(11-9-19-39-35(37)24(2)3)27(7)31(23-33)12-10-20-40-36(38)25(4)5/h16-21,24-26H,3,5,8-15,22-23H2,1-2,4,6-7H3;15-20,23-25H,3,5,8-14,21-22H2,1-2,4,6-7H3;14-19,22-24H,3,5,8-13,20-21H2,1-2,4,6-7H3;13-18,21-23H,2,4,8-12,19-20H2,1,3,5-7H3
InChIKeyRRDGDYRNBDRWIG-UHFFFAOYSA-N
XLogP35.15
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds58
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.07
LogP ≤ 535.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate (CID 160705240) is 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(CCCC)cc3)cc2CC)cc(CCCOC(=O)C(=C)C)c1C.
What is the InChIKey of 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate?
The InChIKey is RRDGDYRNBDRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48O4.C38H46O4.C37H44O4.C36H42O4/c1-8-10-13-30-16-18-32(19-17-30)35-20-21-37(31(9-2)24-35)36-25-33(14-11-22-42-38(40)27(3)4)29(7)34(26-36)15-12-23-43-39(41)28(5)6;1-8-12-29-15-17-31(18-16-29)34-19-20-36(30(9-2)23-34)35-24-32(13-10-21-41-37(39)26(3)4)28(7)33(25-35)14-11-22-42-38(40)27(5)6;1-8-28-14-16-30(17-15-28)33-18-19-35(29(9-2)22-33)34-23-31(12-10-20-40-36(38)25(3)4)27(7)32(24-34)13-11-21-41-37(39)26(5)6;1-8-28-21-32(29-15-13-26(6)14-16-29)17-18-34(28)33-22-30(11-9-19-39-35(37)24(2)3)27(7)31(23-33)12-10-20-40-36(38)25(4)5/h16-21,24-26H,3,5,8-15,22-23H2,1-2,4,6-7H3;15-20,23-25H,3,5,8-14,21-22H2,1-2,4,6-7H3;14-19,22-24H,3,5,8-13,20-21H2,1-2,4,6-7H3;13-18,21-23H,2,4,8-12,19-20H2,1,3,5-7H3.
What are the key properties of 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate?
3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate has a molecular weight of 2239.07 g/mol, XLogP of 35.15, 58 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4-butylphenyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-ethylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-methylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-(4-propylphenyl)phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 160705240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).