[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate

C28H22O10 — CID 123414988

IUPAC[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)C(C)=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)c(OC(=O)C=C)c1
InChIInChI=1S/C28H22O10/c1-6-24(29)34-19-11-13-21(23(16-19)37-27(32)9-4)38-28(33)17(5)14-18-10-12-20(35-25(30)7-2)22(15-18)36-26(31)8-3/h6-16H,1-4H2,5H3
InChIKeyZCSRWIXAQFCHKD-UHFFFAOYSA-N
MW518.47 g/mol
LogP4.06
Rot. Bonds11

About [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate

[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate (PubChem CID 123414988) has the molecular formula C28H22O10 and a molecular weight of 518.47 g/mol. Its IUPAC name is [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
PubChem CID123414988
Molecular FormulaC28H22O10
Molecular Weight518.47 g/mol
Exact Mass518.12
IUPAC Name[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)C(C)=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)c(OC(=O)C=C)c1
InChIInChI=1S/C28H22O10/c1-6-24(29)34-19-11-13-21(23(16-19)37-27(32)9-4)38-28(33)17(5)14-18-10-12-20(35-25(30)7-2)22(15-18)36-26(31)8-3/h6-16H,1-4H2,5H3
InChIKeyZCSRWIXAQFCHKD-UHFFFAOYSA-N
XLogP4.06
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
CID 123868108
[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
CID 123382441
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 141004975
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740
[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873
[3-ethyl-4-[(E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 129281731
[4-(4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoyl)oxyphenyl] 4-buta-1,3-dien-2-yloxy-3-prop-2-enoyloxybenzoate
CID 122424902
ethyl (E)-2-cyano-3-(3-methoxy-4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 89086125

Frequently Asked Questions

What is the IUPAC name of [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate?
The IUPAC name of [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate (CID 123414988) is [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate.
What is the SMILES notation for [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate?
The canonical SMILES for [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate is C=CC(=O)Oc1ccc(OC(=O)C(C)=Cc2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)c(OC(=O)C=C)c1.
What is the InChIKey of [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate?
The InChIKey is ZCSRWIXAQFCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O10/c1-6-24(29)34-19-11-13-21(23(16-19)37-27(32)9-4)38-28(33)17(5)14-18-10-12-20(35-25(30)7-2)22(15-18)36-26(31)8-3/h6-16H,1-4H2,5H3.
What are the key properties of [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate?
[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate has a molecular weight of 518.47 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate is sourced from PubChem (CID 123414988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).