[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate

C73H82O14 — CID 91309274

IUPAC[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OCC(C)OC(=O)C=C)cc3)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(=O)OC(=O)C=C)cc3)c2)cc1
InChIInChI=1S/C37H40O8.C36H42O6/c1-7-32(38)42-24-11-9-10-15-34(40)43-30-20-16-26(17-21-30)36(3,4)28-13-12-14-29(25-28)37(5,6)27-18-22-31(23-19-27)44-35(41)45-33(39)8-2;1-9-33(37)41-25(3)23-39-31-18-14-27(15-19-31)35(5,6)29-12-11-13-30(22-29)36(7,8)28-16-20-32(21-17-28)40-24-26(4)42-34(38)10-2/h7-8,12-14,16-23,25H,1-2,9-11,15,24H2,3-6H3;9-22,25-26H,1-2,23-24H2,3-8H3
InChIKeyBCNCHOAOVJXBQP-UHFFFAOYSA-N
MW1183.44 g/mol
LogP15.09
Rot. Bonds28

About [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate

[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate (PubChem CID 91309274) has the molecular formula C73H82O14 and a molecular weight of 1183.44 g/mol. Its IUPAC name is [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
PubChem CID91309274
Molecular FormulaC73H82O14
Molecular Weight1183.44 g/mol
Exact Mass1182.57
IUPAC Name[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OCC(C)OC(=O)C=C)cc3)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(=O)OC(=O)C=C)cc3)c2)cc1
InChIInChI=1S/C37H40O8.C36H42O6/c1-7-32(38)42-24-11-9-10-15-34(40)43-30-20-16-26(17-21-30)36(3,4)28-13-12-14-29(25-28)37(5,6)27-18-22-31(23-19-27)44-35(41)45-33(39)8-2;1-9-33(37)41-25(3)23-39-31-18-14-27(15-19-31)35(5,6)29-12-11-13-30(22-29)36(7,8)28-16-20-32(21-17-28)40-24-26(4)42-34(38)10-2/h7-8,12-14,16-23,25H,1-2,9-11,15,24H2,3-6H3;9-22,25-26H,1-2,23-24H2,3-8H3
InChIKeyBCNCHOAOVJXBQP-UHFFFAOYSA-N
XLogP15.09
TPSA176.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.44
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate with MolForge

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Related Compounds

[4-[2-[4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[4-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate
CID 90824743
[4-[1-methyl-4-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]cyclohexyl]phenyl] 6-prop-2-enoyloxyhexanoate;2-[4-[2-[4-methyl-4-[4-(2-prop-2-enoyloxypropoxy)phenyl]cyclohexyl]propan-2-yl]phenoxy]propyl prop-2-enoate
CID 91034421
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 6-oxohexanoate
CID 121441027
(4-methylphenyl) 7-prop-2-enoyloxyheptanoate
CID 21049752
[3-methyl-4-(4-prop-2-enoyloxycarbonyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
CID 58383093
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate;3-[3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 165050415
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
[4-(8-prop-2-enoyloxyoctoxy)phenoxy]carbonyl benzoate
CID 140974626
[4-(4-cyanophenyl)phenyl] 8-prop-2-enoyloxyoctanoate
CID 20586865

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?
The IUPAC name of [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate (CID 91309274) is [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?
The canonical SMILES for [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OCC(C)OC(=O)C=C)cc3)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(=O)OC(=O)C=C)cc3)c2)cc1.
What is the InChIKey of [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?
The InChIKey is BCNCHOAOVJXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40O8.C36H42O6/c1-7-32(38)42-24-11-9-10-15-34(40)43-30-20-16-26(17-21-30)36(3,4)28-13-12-14-29(25-28)37(5,6)27-18-22-31(23-19-27)44-35(41)45-33(39)8-2;1-9-33(37)41-25(3)23-39-31-18-14-27(15-19-31)35(5,6)29-12-11-13-30(22-29)36(7,8)28-16-20-32(21-17-28)40-24-26(4)42-34(38)10-2/h7-8,12-14,16-23,25H,1-2,9-11,15,24H2,3-6H3;9-22,25-26H,1-2,23-24H2,3-8H3.
What are the key properties of [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate?
[4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate has a molecular weight of 1183.44 g/mol, XLogP of 15.09, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[2-(4-prop-2-enoyloxycarbonyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] 6-prop-2-enoyloxyhexanoate;1-[4-[2-[3-[2-[4-(2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 91309274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).