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
-2.3416 -2.1300 -1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1521 -1.6081 -1.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4800 -0.7552 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9029 -0.5460 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5996 0.2623 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9056 0.8831 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4688 0.6965 1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 -0.1296 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5174 -0.2484 0.6511 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4000 0.7067 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9305 1.6494 -0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8163 0.5268 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2952 -0.5375 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6255 -0.7415 1.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5338 0.1794 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0960 1.2628 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7550 1.4390 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9462 0.4549 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9080 -0.3342 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 -1.2730 1.3408 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3087 -0.0272 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6914 1.0247 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0078 1.3584 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9722 0.5903 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6666 -0.4866 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3313 -0.7644 0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7231 -2.7767 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0492 -2.0253 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 -1.8559 -2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4028 -1.0493 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4129 1.5320 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0269 1.1768 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5735 -1.2504 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9995 -1.5801 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5949 0.0930 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8133 1.9950 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3917 2.2969 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9080 1.6244 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2674 2.1933 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0077 0.8333 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4702 -1.0608 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0839 -1.5990 1.6159 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