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
0.6127 -2.2090 -2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 -1.3624 -1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5512 -0.6597 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7686 -0.8558 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 -0.1891 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7252 0.6845 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 0.8932 1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2717 0.2394 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5987 0.4215 -0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6162 -0.3163 0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3085 -1.2063 1.3153 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0045 -0.0210 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 0.9793 -0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5902 1.2629 -1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6495 0.5609 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3696 -0.4501 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0608 -0.7232 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8141 -0.4251 0.8941 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7392 0.3593 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3103 1.2522 -0.5435 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1712 0.1582 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6837 -0.8077 1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0457 -0.9663 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9492 -0.1721 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4356 0.7974 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0718 0.9502 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4230 -2.4691 -2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1495 -2.7366 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2828 -1.1746 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3717 -1.5325 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 1.2330 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 1.5934 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4454 1.5331 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8210 2.0463 -1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6754 0.7657 -0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1927 -1.0248 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8191 -1.5025 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9607 -1.4357 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4348 -1.7349 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0290 -0.3099 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1219 1.4394 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6643 1.7132 -0.9222 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