Standard Compound Records

Database Entry: cq_10185

2D-Structure

3D-Structure

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Basic Information

Name:Bisphenol A dimethacrylate;2,2-Di(4-methacryloxyphenyl)propane;4,4'-Isopropylidenediphenol dimethacrylate
Synonyms:Bisphenol A dimethacrylate;2,2-Di(4-methacryloxyphenyl)propane;4,4'-Isopropylidenediphenol dimethacrylate;2,2-di(4-Methacryloxyphenyl)propane;2-Propenoic acid, 2-methyl-, (1-methylethylidene)di-4,1-phenylene ester;3253-39-2;4,4'-Isopropylidenediphenyl dimethacrylate;EINECS 221-846-9;2-methylacrylic acid [4-[1-(4-methacryloyloxyphenyl)-1-methyl-ethyl]phenyl] ester;[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4-methacryloyloxyphenyl)-1-methyl-ethyl]phenyl] 2-methylprop-2-enoate
Molecular Weight:364.43426
Formula:C23H24O4
CAS:3253-39-2
Isomeric SMILES:CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)C(=C)C
Canonical SMILES:CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)C(=C)C
InChI:InChI=1/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3
Experimental Water Solubility:
Predicted Water Solubility:
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):

Biology and Chemistry related

KEGG Compound ID:C14345
PubChem SID:653813
PubChem CID:76739
ChemIDplus:003253392
CHEBI:
HMDB:
PDB Component ID:
MetaCyc ID:
UM-BBD ID:
BMRB ID:

NMR related

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1H13447N_AN_A2.01N_AN_AN_A
2H14447N_AN_A2.01N_AN_AN_A
3H15447N_AN_A2.01N_AN_AN_A
4H16448N_AN_A2.01N_AN_AN_A
5H17448N_AN_A2.01N_AN_AN_A
6H18448N_AN_A2.01N_AN_AN_A
7H19549N_AN_A1.69N_AN_AN_A
8H20549N_AN_A1.69N_AN_AN_A
9H21549N_AN_A1.69N_AN_AN_A
10H22550N_AN_A1.69N_AN_AN_A
11H23550N_AN_A1.69N_AN_AN_A
12H24550N_AN_A1.69N_AN_AN_A
13C3351031,45,977128.5N_AN_AN_A
14C3361032,45,1087128.5N_AN_AN_A
15C3371033,46,1197128.5N_AN_AN_A
16C3381034,46,12107128.5N_AN_AN_A
17C331935,41,51111122.0N_AN_AN_A
18C332936,41,61211122.0N_AN_AN_A
19C333937,42,71311122.0N_AN_AN_A
20C334938,42,81411122.0N_AN_AN_A
21C4451435,36,511717143.0N_AN_AN_A
22C4461437,38,511817143.0N_AN_AN_A
23C4411231,32,271919149.0N_AN_AN_A
24C4421233,34,282019149.0N_AN_AN_A
25C229843,1,211128.0N_AN_AN_A
26C230844,3,431128.0N_AN_AN_A
27C4431329,39,471515135.5N_AN_AN_A
28C4441330,40,481615135.5N_AN_AN_A
29C4391143,25,272121166.0N_AN_AN_A
30C4401144,26,282221166.0N_AN_AN_A
31C1471513,14,15,432217.9N_AN_AN_A
32C1481516,17,18,444217.9N_AN_AN_A
33C1491619,20,21,515530.9N_AN_AN_A
34C1501622,23,24,516530.9N_AN_AN_A
35C4511745,46,49,50232342.4N_AN_AN_A
36O256392424N_AN_AN_AN_A
37O266402524N_AN_AN_AN_A
38O27741,392626N_AN_AN_AN_A
39O28742,402726N_AN_AN_AN_A
40H9335N_AN_A7.25N_AN_AN_A
41H10336N_AN_A7.25N_AN_AN_A
42H11337N_AN_A7.25N_AN_AN_A
43H12338N_AN_A7.25N_AN_AN_A
44H5231N_AN_A6.99N_AN_AN_A
45H6232N_AN_A6.99N_AN_AN_A
46H7233N_AN_A6.99N_AN_AN_A
47H8234N_AN_A6.99N_AN_AN_A
48H1129N_AN_A6.185N_AN_AN_A
49H2129N_AN_A6.435N_AN_AN_A
50H3130N_AN_A6.185N_AN_AN_A
51H4130N_AN_A6.435N_AN_AN_A

Mass Spectra related

C12N14 Mass data:364.167459259
C13N14 Mass data:387.244620528
C12N15 Mass data:364.167459259
C13N15 Mass data:387.244620528

Miscellanea

Order_Status:DONE
Organism:
Location:
Isomer:
Salt:
Data Source:kegg
Similar Structure:
Comments: