2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

C122H190O23 — CID 161346469

IUPAC2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OC(C)COc1ccc(CC(C)(C)Cc2ccc(OCC(C)OC(=O)C=C)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCCOc1ccc(CC(C)(C)Cc2ccc(OCCOC(=O)C=C)cc2)cc1.C=CCOOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C29H36O6.C27H32O6.C25H30O6.C25H28O5.16CH4/c1-7-27(30)34-21(3)19-32-25-13-9-23(10-14-25)17-29(5,6)18-24-11-15-26(16-12-24)33-20-22(4)35-28(31)8-2;1-5-25(28)32-17-15-30-23-11-7-21(8-12-23)19-27(3,4)20-22-9-13-24(14-10-22)31-16-18-33-26(29)6-2;1-5-15-30-31-19-18-28-23-13-9-21(10-14-23)25(3,4)20-7-11-22(12-8-20)27-16-17-29-24(26)6-2;1-5-23(26)29-17-7-16-28-22-14-12-21(13-15-22)25(3,4)20-10-8-19(9-11-20)18-30-24(27)6-2;;;;;;;;;;;;;;;;/h7-16,21-22H,1-2,17-20H2,3-6H3;5-14H,1-2,15-20H2,3-4H3;5-14H,1-2,15-19H2,3-4H3;5-6,8-15H,1-2,7,16-18H2,3-4H3;16*1H4
InChIKeyVNIZSFFDVOCYIS-UHFFFAOYSA-N
MW2024.84 g/mol
LogP29.76
Rot. Bonds53

About 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate (PubChem CID 161346469) has the molecular formula C122H190O23 and a molecular weight of 2024.84 g/mol. Its IUPAC name is 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
PubChem CID161346469
Molecular FormulaC122H190O23
Molecular Weight2024.84 g/mol
Exact Mass2023.37
IUPAC Name2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OC(C)COc1ccc(CC(C)(C)Cc2ccc(OCC(C)OC(=O)C=C)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCCOc1ccc(CC(C)(C)Cc2ccc(OCCOC(=O)C=C)cc2)cc1.C=CCOOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1
InChIInChI=1S/C29H36O6.C27H32O6.C25H30O6.C25H28O5.16CH4/c1-7-27(30)34-21(3)19-32-25-13-9-23(10-14-25)17-29(5,6)18-24-11-15-26(16-12-24)33-20-22(4)35-28(31)8-2;1-5-25(28)32-17-15-30-23-11-7-21(8-12-23)19-27(3,4)20-22-9-13-24(14-10-22)31-16-18-33-26(29)6-2;1-5-15-30-31-19-18-28-23-13-9-21(10-14-23)25(3,4)20-7-11-22(12-8-20)27-16-17-29-24(26)6-2;1-5-23(26)29-17-7-16-28-22-14-12-21(13-15-22)25(3,4)20-10-8-19(9-11-20)18-30-24(27)6-2;;;;;;;;;;;;;;;;/h7-16,21-22H,1-2,17-20H2,3-6H3;5-14H,1-2,15-20H2,3-4H3;5-14H,1-2,15-19H2,3-4H3;5-6,8-15H,1-2,7,16-18H2,3-4H3;16*1H4
InChIKeyVNIZSFFDVOCYIS-UHFFFAOYSA-N
XLogP29.76
TPSA267.17 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.84
LogP ≤ 529.76
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate (CID 161346469) is 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OC(C)COc1ccc(CC(C)(C)Cc2ccc(OCC(C)OC(=O)C=C)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(COC(=O)C=C)cc2)cc1.C=CC(=O)OCCOc1ccc(CC(C)(C)Cc2ccc(OCCOC(=O)C=C)cc2)cc1.C=CCOOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C=C)cc2)cc1.
What is the InChIKey of 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
The InChIKey is VNIZSFFDVOCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O6.C27H32O6.C25H30O6.C25H28O5.16CH4/c1-7-27(30)34-21(3)19-32-25-13-9-23(10-14-25)17-29(5,6)18-24-11-15-26(16-12-24)33-20-22(4)35-28(31)8-2;1-5-25(28)32-17-15-30-23-11-7-21(8-12-23)19-27(3,4)20-22-9-13-24(14-10-22)31-16-18-33-26(29)6-2;1-5-15-30-31-19-18-28-23-13-9-21(10-14-23)25(3,4)20-7-11-22(12-8-20)27-16-17-29-24(26)6-2;1-5-23(26)29-17-7-16-28-22-14-12-21(13-15-22)25(3,4)20-10-8-19(9-11-20)18-30-24(27)6-2;;;;;;;;;;;;;;;;/h7-16,21-22H,1-2,17-20H2,3-6H3;5-14H,1-2,15-20H2,3-4H3;5-14H,1-2,15-19H2,3-4H3;5-6,8-15H,1-2,7,16-18H2,3-4H3;16*1H4.
What are the key properties of 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate?
2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate has a molecular weight of 2024.84 g/mol, XLogP of 29.76, 53 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]propyl]phenoxy]ethyl prop-2-enoate;1-[4-[2,2-dimethyl-3-[4-(2-prop-2-enoyloxypropoxy)phenyl]propyl]phenoxy]propan-2-yl prop-2-enoate;methane;3-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]propan-2-yl]phenoxy]propyl prop-2-enoate;2-[4-[2-[4-(2-prop-2-enylperoxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 161346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).