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

C29H24O10 — CID 123868108

IUPAC[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)C(C)=C(C)c2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1OC(=O)C=C
InChIInChI=1S/C29H24O10/c1-7-25(30)36-21-13-11-19(15-23(21)38-27(32)9-3)17(5)18(6)29(34)35-20-12-14-22(37-26(31)8-2)24(16-20)39-28(33)10-4/h7-16H,1-4H2,5-6H3
InChIKeyCTBDKLBUVDWFHN-UHFFFAOYSA-N
MW532.50 g/mol
LogP4.45
Rot. Bonds11

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

[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate (PubChem CID 123868108) has the molecular formula C29H24O10 and a molecular weight of 532.50 g/mol. Its IUPAC name is [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate.

Molecular Properties

Compound Name[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
PubChem CID123868108
Molecular FormulaC29H24O10
Molecular Weight532.50 g/mol
Exact Mass532.14
IUPAC Name[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
SMILESC=CC(=O)Oc1ccc(OC(=O)C(C)=C(C)c2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1OC(=O)C=C
InChIInChI=1S/C29H24O10/c1-7-25(30)36-21-13-11-19(15-23(21)38-27(32)9-3)17(5)18(6)29(34)35-20-12-14-22(37-26(31)8-2)24(16-20)39-28(33)10-4/h7-16H,1-4H2,5-6H3
InChIKeyCTBDKLBUVDWFHN-UHFFFAOYSA-N
XLogP4.45
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.50
LogP ≤ 54.45
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

[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
CID 123414988
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
[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
[4-[3-[3,4-di(prop-2-enoyloxy)phenyl]prop-2-enoyl]phenyl] prop-2-enoate
CID 123382441
[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[2-methanimidoyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 3,4-di(prop-2-enoyloxy)benzoate
CID 122419007
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
[3,4-bis[[4-(10-prop-2-enoyloxydecoxy)benzoyl]oxy]phenyl] 4-(10-prop-2-enoyloxydecoxy)benzoate
CID 23355747
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 3,4-di(prop-2-enoyloxy)benzoate
CID 59181112
[3-methoxy-4-[6-(prop-2-enoyloxymethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(prop-2-enoyloxymethoxy)naphthalene-2-carboxylate
CID 59181128

Frequently Asked Questions

What is the IUPAC name of [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate?
The IUPAC name of [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate (CID 123868108) is [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate.
What is the SMILES notation for [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate?
The canonical SMILES for [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate is C=CC(=O)Oc1ccc(OC(=O)C(C)=C(C)c2ccc(OC(=O)C=C)c(OC(=O)C=C)c2)cc1OC(=O)C=C.
What is the InChIKey of [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate?
The InChIKey is CTBDKLBUVDWFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O10/c1-7-25(30)36-21-13-11-19(15-23(21)38-27(32)9-3)17(5)18(6)29(34)35-20-12-14-22(37-26(31)8-2)24(16-20)39-28(33)10-4/h7-16H,1-4H2,5-6H3.
What are the key properties of [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate?
[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate has a molecular weight of 532.50 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate is sourced from PubChem (CID 123868108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).