[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate

C34H32O8 — CID 138462496

IUPAC[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)c2)cc1OC(=O)C(=C)C
InChIInChI=1S/C34H32O8/c1-19(2)31(35)39-27-14-12-25(17-29(27)41-33(37)21(5)6)23-10-9-11-24(16-23)26-13-15-28(40-32(36)20(3)4)30(18-26)42-34(38)22(7)8/h9-18,20H,1,5,7H2,2-4,6,8H3
InChIKeyZFSSYDDRFHXHPF-UHFFFAOYSA-N
MW568.62 g/mol
LogP7.03
Rot. Bonds10

About [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate

[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate (PubChem CID 138462496) has the molecular formula C34H32O8 and a molecular weight of 568.62 g/mol. Its IUPAC name is [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
PubChem CID138462496
Molecular FormulaC34H32O8
Molecular Weight568.62 g/mol
Exact Mass568.21
IUPAC Name[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
SMILESC=C(C)C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)c2)cc1OC(=O)C(=C)C
InChIInChI=1S/C34H32O8/c1-19(2)31(35)39-27-14-12-25(17-29(27)41-33(37)21(5)6)23-10-9-11-24(16-23)26-13-15-28(40-32(36)20(3)4)30(18-26)42-34(38)22(7)8/h9-18,20H,1,5,7H2,2-4,6,8H3
InChIKeyZFSSYDDRFHXHPF-UHFFFAOYSA-N
XLogP7.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.62
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[(E)-2-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
CID 130281135
[2-[4-(2-methylprop-2-enoyloxy)phenyl]-5-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate
CID 144772065
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[4-[4-[(E)-2-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]ethenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
CID 130280784
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[(Z)-2-methylbut-2-enoyl]oxyphenyl] (Z)-2-methylbut-2-enoate
CID 118907637
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-prop-1-en-2-ylphenyl] 2-methylprop-2-enoate
CID 148983467
[5-[4-[3-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] (Z)-2-methylbut-2-enoate
CID 118907630
[4-[3-fluoro-4-[3-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 126748286
[4-[6,7-bis(2-methylprop-2-enoyloxy)naphthalen-2-yl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[3,6,7-tris(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate
CID 161197978
[(Z)-2-[2-(2-methylprop-2-enoyloxy)-4-[7-(2-methylprop-2-enoyloxy)-6-[(Z)-2-(2-methylprop-2-enoyloxy)ethenoxy]naphthalen-2-yl]phenoxy]ethenyl] 2-methylpropanoate
CID 163750440
[2-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-5-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-[(E)-2-methylbut-2-enoyl]oxyphenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907394
[4-butoxy-2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 121336175

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate?
The IUPAC name of [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate (CID 138462496) is [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate.
What is the SMILES notation for [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate?
The canonical SMILES for [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate is C=C(C)C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)c2)cc1OC(=O)C(=C)C.
What is the InChIKey of [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate?
The InChIKey is ZFSSYDDRFHXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O8/c1-19(2)31(35)39-27-14-12-25(17-29(27)41-33(37)21(5)6)23-10-9-11-24(16-23)26-13-15-28(40-32(36)20(3)4)30(18-26)42-34(38)22(7)8/h9-18,20H,1,5,7H2,2-4,6,8H3.
What are the key properties of [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate?
[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate has a molecular weight of 568.62 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate is sourced from PubChem (CID 138462496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).