Monomers
Phenyl 4-[2-(acryloyloxy)ethoxy]benzoate
Identifiers
IUPAC name
phenyl 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C18H16O5/c1-2-17(19)22-13-12-21-15-10-8-14(9-11-15)18(20)23-16-6-4-3-5-7-16/h2-11H,1,12-13H2
InchI Key
CVTHXGRUEBRVQY-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C18H16O5
Heavy Atom Count
23
Molecular Weight
312.321
Exact Molecular Weight
312.0998
Valence Electrons
118
Radical Electrons
0
tPSA
61.83
MolLogP
3.0138
H Bond Acceptors
5
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
39 40 0 0 0 0 0 0 0 0999 V2000
-8.1886 -0.0256 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2407 0.1379 -1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8504 -0.0075 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9313 0.1484 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5498 -0.3172 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2533 -0.4873 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6105 -1.6671 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3187 -1.9581 0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 -1.2899 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9460 -0.0560 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3022 0.5570 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3950 -0.0824 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -1.3207 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0045 -1.9151 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 0.5349 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 1.6772 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 -0.0949 0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0669 0.5055 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5003 1.3131 1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7341 1.8838 1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5891 1.6928 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1260 0.8887 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8835 0.2826 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9447 -0.2686 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2217 0.0786 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4761 0.3812 -2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3637 -0.7311 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6422 0.4370 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6645 -1.4997 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2492 -2.5650 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7463 0.5093 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 1.5474 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0854 -1.8567 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0885 -2.8991 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8155 1.4508 2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0801 2.5220 2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 2.1457 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7381 0.6868 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5660 -0.3388 -1.2073 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
12 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
14 9 1 0
23 18 1 0
1 24 1 0
1 25 1 0
2 26 1 0
6 27 1 0
6 28 1 0
7 29 1 0
7 30 1 0
10 31 1 0
11 32 1 0
13 33 1 0
14 34 1 0
19 35 1 0
20 36 1 0
21 37 1 0
22 38 1 0
23 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers