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
-8.1793 0.7146 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3694 1.6364 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2252 1.2182 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4160 2.0714 0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9948 -0.1192 0.2497 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9299 -0.5949 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6020 -0.2373 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5689 -0.7446 1.2222 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2235 -0.5428 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8715 0.1550 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4457 0.3648 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 -0.1275 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1139 -0.8224 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2014 -1.0326 1.6592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 0.0820 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2375 0.6998 -1.2025 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8474 -0.4404 0.6434 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2077 -0.3148 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8202 -1.3131 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1885 -1.2288 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9006 -0.1661 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3045 0.8396 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9558 0.7347 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0261 1.0009 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0026 -0.3219 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5691 2.6703 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0028 -1.6998 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9675 -0.1533 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5365 -0.6653 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 0.8415 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 0.5338 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6974 0.9142 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9443 -1.2007 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 -1.5860 2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2405 -2.1418 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6155 -2.0290 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9601 -0.1320 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9425 1.6301 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4745 1.5072 1.4857 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