[(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

C36H34O10 — CID 163750440

IUPAC[(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
SMILESC=C(C)C(=O)O/C=C\Oc1cc2ccc(-c3ccc(O/C=C\OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)cc2cc1OC(=O)C(=C)C
InChIInChI=1S/C36H34O10/c1-21(2)33(37)43-15-13-41-29-12-11-26(19-31(29)45-35(39)23(5)6)25-9-10-27-18-30(42-14-16-44-34(38)22(3)4)32(20-28(27)17-25)46-36(40)24(7)8/h9-21H,3,5,7H2,1-2,4,6,8H3/b15-13-,16-14-
InChIKeyLPNDICBLOLAAPP-VMNXYWKNSA-N
MW626.66 g/mol
LogP7.49
Rot. Bonds13

About [(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

[(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 (PubChem CID 163750440) has the molecular formula C36H34O10 and a molecular weight of 626.66 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID163750440
Molecular FormulaC36H34O10
Molecular Weight626.66 g/mol
Exact Mass626.22
IUPAC Name[(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
SMILESC=C(C)C(=O)O/C=C\Oc1cc2ccc(-c3ccc(O/C=C\OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)cc2cc1OC(=O)C(=C)C
InChIInChI=1S/C36H34O10/c1-21(2)33(37)43-15-13-41-29-12-11-26(19-31(29)45-35(39)23(5)6)25-9-10-27-18-30(42-14-16-44-34(38)22(3)4)32(20-28(27)17-25)46-36(40)24(7)8/h9-21H,3,5,7H2,1-2,4,6,8H3/b15-13-,16-14-
InChIKeyLPNDICBLOLAAPP-VMNXYWKNSA-N
XLogP7.49
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.66
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[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
2-[4-[3-(difluoromethyl)-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123619500
2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
CID 123781400
2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123687311
2-[4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123553742
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
[(Z)-2-[2-(2-methylprop-2-enoyloxy)-4-[6-(2-methylprop-2-enoyloxy)-5-[(Z)-2-(2-methylprop-2-enoyloxy)ethenoxy]naphthalen-1-yl]phenoxy]ethenyl] 2-methylprop-2-enoate
CID 118013778
[4-[3-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylpropanoate
CID 138462496
[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
[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-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[(Z)-2-methylbut-2-enoyl]oxyphenyl] (Z)-2-methylbut-2-enoate
CID 118907637
2-[3-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]-5-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123774805

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(C)C(=O)O/C=C\Oc1cc2ccc(-c3ccc(O/C=C\OC(=O)C(C)C)c(OC(=O)C(=C)C)c3)cc2cc1OC(=O)C(=C)C.
What is the InChIKey of [(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?
The InChIKey is LPNDICBLOLAAPP-VMNXYWKNSA-N. The full InChI is InChI=1S/C36H34O10/c1-21(2)33(37)43-15-13-41-29-12-11-26(19-31(29)45-35(39)23(5)6)25-9-10-27-18-30(42-14-16-44-34(38)22(3)4)32(20-28(27)17-25)46-36(40)24(7)8/h9-21H,3,5,7H2,1-2,4,6,8H3/b15-13-,16-14-.
What are the key properties of [(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?
[(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 has a molecular weight of 626.66 g/mol, XLogP of 7.49, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 163750440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).