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
-2.2389 -2.0719 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0663 -1.5251 1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4469 -0.6263 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9144 -0.3857 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5721 0.4596 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8741 1.0997 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 0.8985 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 0.0305 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4651 -0.1406 -0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3914 0.7559 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9913 1.7450 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8003 0.4955 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2171 -0.6065 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5512 -0.8679 -1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5300 -0.0297 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1338 1.0804 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7984 1.3367 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9283 0.6869 0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8193 -0.1207 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 -1.0392 -1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2597 0.0518 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0712 -0.7976 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4390 -0.6741 -1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9760 0.3214 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1729 1.1817 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8133 1.0557 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9548 -1.9733 0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 -2.7465 2.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4870 -1.7708 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4767 -0.8890 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3700 1.7826 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 1.3904 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4784 -1.3115 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8945 -1.7397 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5953 -0.2154 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9000 1.7498 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4665 2.2037 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6461 -1.5995 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0892 -1.3245 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0435 0.4630 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6180 1.9693 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1397 1.6973 0.8570 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