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
6.9253 1.9341 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4242 1.2194 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7497 -0.0435 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2908 -0.6885 -1.6906 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5999 -0.5521 0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9589 -1.7583 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 -1.7768 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7613 -0.7730 1.0042 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 -0.6852 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 0.2941 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6894 0.3798 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2869 -0.4690 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5326 -1.4416 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8261 -1.5432 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 -0.3323 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2917 -1.0795 -1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4620 0.6613 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8105 0.8282 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7931 0.1897 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1207 0.3939 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5079 1.2398 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5179 1.8766 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1664 1.6725 -0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8624 1.6263 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4213 2.8654 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5197 1.5781 -1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9984 -1.9162 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4868 -2.5936 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4116 -1.6553 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -2.7539 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1087 0.9772 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3227 1.1436 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 -2.1148 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4501 -2.2953 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5657 -0.4801 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9240 -0.0922 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5249 1.4194 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7929 2.5326 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4626 2.2124 -1.5411 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