Monomers
Dibenzoic acid 2-vinyl-1,4-phenylene ester
Identifiers
IUPAC name
(4-benzoyloxy-3-ethenylphenyl) benzoate
InchI
InChI=1S/C22H16O4/c1-2-16-15-19(25-21(23)17-9-5-3-6-10-17)13-14-20(16)26-22(24)18-11-7-4-8-12-18/h2-15H,1H2
InchI Key
YJGIXTKLKQBPHL-UHFFFAOYSA-N
SMILES
C=Cc1cc(ccc1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Canonical SMILES
C=CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Isomeric SMILES
C=CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C22H16O4
Heavy Atom Count
26
Molecular Weight
344.366
Exact Molecular Weight
344.1049
Valence Electrons
128
Radical Electrons
0
tPSA
52.6
MolLogP
4.768
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
3
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
42 44 0 0 0 0 0 0 0 0999 V2000
0.7973 -2.6207 2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3164 -1.7346 1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5739 -0.7356 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7954 -0.6722 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.2890 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 1.1636 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 1.0797 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2755 0.1271 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6795 0.0272 -0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4796 0.7452 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 1.4757 1.4568 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9417 0.6884 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6938 1.4182 1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0644 1.3542 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6672 0.5451 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8912 -0.1720 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5138 -0.1277 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8493 0.4345 0.1071 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7043 -0.2542 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1273 -1.0036 -1.5993 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1443 -0.1026 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7881 0.7137 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1575 0.8445 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9223 0.1413 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3213 -0.6834 -1.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9268 -0.8068 -1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4023 -3.3387 2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2520 -2.6498 2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 -1.7597 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 -1.3210 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3046 1.9212 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 1.7375 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2238 2.0390 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6935 1.9085 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7320 0.4980 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3478 -0.8038 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9157 -0.6965 -1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2085 1.2814 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6513 1.5044 0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0045 0.2509 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9497 -1.2282 -2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5341 -1.4773 -2.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
5 18 1 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
8 3 1 0
17 12 1 0
26 21 1 0
1 27 1 0
1 28 1 0
2 29 1 0
4 30 1 0
6 31 1 0
7 32 1 0
13 33 1 0
14 34 1 0
15 35 1 0
16 36 1 0
17 37 1 0
22 38 1 0
23 39 1 0
24 40 1 0
25 41 1 0
26 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers