[4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate

C175H178O31 — CID 160892697

About [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate

[4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate (PubChem CID 160892697) has the molecular formula C175H178O31 and a molecular weight of 2777.32 g/mol. Its IUPAC name is [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate.

Molecular Properties

• Compound Name: [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate
• PubChem CID: 160892697
• Molecular Formula: C175H178O31
• Molecular Weight: 2777.32 g/mol
• Exact Mass: 2775.24
• IUPAC Name: [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate
• SMILES: C=CCOOCCCC(C)CCOc1ccc(COOc2ccc(OC(=O)c3ccc(OCCC(C)CCCOC(=O)C=C)cc3)cc2)cc1.C=Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.C=Cc1ccc(/C=C/COOC2COC3C(O/C=C/c4ccc(C=C)cc4)COC23)cc1.C=Cc1ccc(C(=O)Oc2ccc(C3CCC(C)CC3)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)c(C)c2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C=C)cc3)c(C)c2C)cc1.C=O.Cc1ccc(OC(=O)c2ccc(CC3CO3)cc2)cc1
• InChI: InChI=1S/C40H50O10.C27H28O5.C26H22O4.C24H20O4.C22H24O2.C18H16O2.C17H16O3.CH2O/c1-5-25-46-47-27-8-10-32(4)24-28-43-35-15-11-33(12-16-35)30-48-50-38-21-19-37(20-22-38)49-40(42)34-13-17-36(18-14-34)44-29-23-31(3)9-7-26-45-39(41)6-2;1-3-20-7-11-22(12-8-20)6-5-16-31-32-25-19-30-26-24(18-29-27(25)26)28-17-15-23-13-9-21(4-2)10-14-23;1-5-19-7-11-21(12-8-19)25(27)29-23-15-16-24(18(4)17(23)3)30-26(28)22-13-9-20(6-2)10-14-22;1-4-18-7-11-20(12-8-18)23(25)27-21-13-14-22(17(3)15-21)28-24(26)19-9-5-16(2)6-10-19;1-3-17-6-10-20(11-7-17)22(23)24-21-14-12-19(13-15-21)18-8-4-16(2)5-9-18;1-3-15-6-8-16(9-7-15)10-13-18(19)20-17-11-4-14(2)5-12-17;1-12-2-8-15(9-3-12)20-17(18)14-6-4-13(5-7-14)10-16-11-19-16;1-2/h5-6,11-22,31-32H,1-2,7-10,23-30H2,3-4H3;3-15,17,24-27H,1-2,16,18-19H2;5-16H,1-2H2,3-4H3;4-15H,1H2,2-3H3;3,6-7,10-16,18H,1,4-5,8-9H2,2H3;3-13H,1H2,2H3;2-9,16H,10-11H2,1H3;1H2/b;6-5+,17-15+;;;;13-10+
• InChIKey: SOMCSLZCXAGBDH-YAIILLGCSA-N
• XLogP: 38.29
• TPSA: 367.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 59
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2777.32
LogP ≤ 5	38.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate?

The IUPAC name of [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate (CID 160892697) is [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate.

What is the SMILES notation for [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate?

The canonical SMILES for [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate is C=CCOOCCCC(C)CCOc1ccc(COOc2ccc(OC(=O)c3ccc(OCCC(C)CCCOC(=O)C=C)cc3)cc2)cc1.C=Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.C=Cc1ccc(/C=C/COOC2COC3C(O/C=C/c4ccc(C=C)cc4)COC23)cc1.C=Cc1ccc(C(=O)Oc2ccc(C3CCC(C)CC3)cc2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)c(C)c2)cc1.C=Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C=C)cc3)c(C)c2C)cc1.C=O.Cc1ccc(OC(=O)c2ccc(CC3CO3)cc2)cc1.

What is the InChIKey of [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate?

The InChIKey is SOMCSLZCXAGBDH-YAIILLGCSA-N. The full InChI is InChI=1S/C40H50O10.C27H28O5.C26H22O4.C24H20O4.C22H24O2.C18H16O2.C17H16O3.CH2O/c1-5-25-46-47-27-8-10-32(4)24-28-43-35-15-11-33(12-16-35)30-48-50-38-21-19-37(20-22-38)49-40(42)34-13-17-36(18-14-34)44-29-23-31(3)9-7-26-45-39(41)6-2;1-3-20-7-11-22(12-8-20)6-5-16-31-32-25-19-30-26-24(18-29-27(25)26)28-17-15-23-13-9-21(4-2)10-14-23;1-5-19-7-11-21(12-8-19)25(27)29-23-15-16-24(18(4)17(23)3)30-26(28)22-13-9-20(6-2)10-14-22;1-4-18-7-11-20(12-8-18)23(25)27-21-13-14-22(17(3)15-21)28-24(26)19-9-5-16(2)6-10-19;1-3-17-6-10-20(11-7-17)22(23)24-21-14-12-19(13-15-21)18-8-4-16(2)5-9-18;1-3-15-6-8-16(9-7-15)10-13-18(19)20-17-11-4-14(2)5-12-17;1-12-2-8-15(9-3-12)20-17(18)14-6-4-13(5-7-14)10-16-11-19-16;1-2/h5-6,11-22,31-32H,1-2,7-10,23-30H2,3-4H3;3-15,17,24-27H,1-2,16,18-19H2;5-16H,1-2H2,3-4H3;4-15H,1H2,2-3H3;3,6-7,10-16,18H,1,4-5,8-9H2,2H3;3-13H,1H2,2H3;2-9,16H,10-11H2,1H3;1H2/b;6-5+,17-15+;;;;13-10+;;.

What are the key properties of [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate?

[4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate has a molecular weight of 2777.32 g/mol, XLogP of 38.29, 59 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate is sourced from PubChem (CID 160892697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).