[(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

C36H32O10 — CID 118013778

IUPAC[(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
SMILESC=C(C)C(=O)O/C=C\Oc1ccc(-c2cccc3c(O/C=C\OC(=O)C(=C)C)c(OC(=O)C(=C)C)ccc23)cc1OC(=O)C(=C)C
InChIInChI=1S/C36H32O10/c1-21(2)33(37)43-18-16-41-29-14-12-25(20-31(29)46-36(40)24(7)8)26-10-9-11-28-27(26)13-15-30(45-35(39)23(5)6)32(28)42-17-19-44-34(38)22(3)4/h9-20H,1,3,5,7H2,2,4,6,8H3/b18-16-,19-17-
InChIKeyYVIQLSWMDFYZMP-YGGBKCGDSA-N
MW624.64 g/mol
LogP7.41
Rot. Bonds13

About [(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

[(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 (PubChem CID 118013778) has the molecular formula C36H32O10 and a molecular weight of 624.64 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID118013778
Molecular FormulaC36H32O10
Molecular Weight624.64 g/mol
Exact Mass624.20
IUPAC Name[(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
SMILESC=C(C)C(=O)O/C=C\Oc1ccc(-c2cccc3c(O/C=C\OC(=O)C(=C)C)c(OC(=O)C(=C)C)ccc23)cc1OC(=O)C(=C)C
InChIInChI=1S/C36H32O10/c1-21(2)33(37)43-18-16-41-29-14-12-25(20-31(29)46-36(40)24(7)8)26-10-9-11-28-27(26)13-15-30(45-35(39)23(5)6)32(28)42-17-19-44-34(38)22(3)4/h9-20H,1,3,5,7H2,2,4,6,8H3/b18-16-,19-17-
InChIKeyYVIQLSWMDFYZMP-YGGBKCGDSA-N
XLogP7.41
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.64
LogP ≤ 57.41
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

[(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-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123687311
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
[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
2-[4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123553742
[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
[4-[2-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]ethenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 123707280
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
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
2-[4-[3-(difluoromethyl)-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123619500
2-[4-(2-methylprop-2-enoyloxy)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123803428

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(C)C(=O)O/C=C\Oc1ccc(-c2cccc3c(O/C=C\OC(=O)C(=C)C)c(OC(=O)C(=C)C)ccc23)cc1OC(=O)C(=C)C.
What is the InChIKey of [(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?
The InChIKey is YVIQLSWMDFYZMP-YGGBKCGDSA-N. The full InChI is InChI=1S/C36H32O10/c1-21(2)33(37)43-18-16-41-29-14-12-25(20-31(29)46-36(40)24(7)8)26-10-9-11-28-27(26)13-15-30(45-35(39)23(5)6)32(28)42-17-19-44-34(38)22(3)4/h9-20H,1,3,5,7H2,2,4,6,8H3/b18-16-,19-17-.
What are the key properties of [(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?
[(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 has a molecular weight of 624.64 g/mol, XLogP of 7.41, 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-[6-(2-methylprop-2-enoyloxy)-5-[(Z)-2-(2-methylprop-2-enoyloxy)ethenoxy]naphthalen-1-yl]phenoxy]ethenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118013778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).