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
0.5298 -2.7470 1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1937 -1.7200 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5246 -0.6040 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.5736 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4680 0.5024 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 1.5328 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 1.4981 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3269 0.4566 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6947 0.3864 0.1932 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5591 -0.1869 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0580 -0.6522 -1.7707 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9870 -0.2181 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4831 0.3161 0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8148 0.3072 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7045 -0.2483 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2354 -0.7847 -1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8961 -0.7728 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8337 0.4486 -0.4844 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7516 0.9234 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3226 1.4639 1.4596 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1713 0.7853 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1653 1.2364 0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4985 1.0862 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8898 0.4777 -0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9136 0.0255 -1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 0.1816 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5127 -2.8431 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0623 -3.5665 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3006 -1.6984 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 -1.4064 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1696 2.3835 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2757 2.3346 -0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7718 0.7502 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1310 0.7404 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7810 -0.2780 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9123 -1.2294 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5030 -1.1960 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8963 1.7185 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2910 1.4460 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9429 0.3589 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1978 -0.4490 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8250 -0.1857 -1.7459 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