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
7.1864 -1.2080 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3691 -1.7325 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5498 -0.8277 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7934 -1.3613 -1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6384 0.5093 -0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9291 1.4707 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4575 1.4013 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8635 0.1822 -1.1533 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5095 -0.0196 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7205 0.9954 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6077 0.7988 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2499 -0.3778 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -1.3891 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8802 -1.2036 -1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 -0.5557 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2744 -1.6328 -0.5328 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4644 0.4562 0.3029 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8253 0.3333 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3386 -0.1334 1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6922 -0.2293 1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6051 0.1307 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0946 0.6017 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7266 0.6965 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8097 -1.7979 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2511 -0.1316 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3164 -2.7917 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3249 2.4865 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1318 1.3115 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 1.5641 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9173 2.2709 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 1.9404 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1950 1.5961 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -2.3383 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4904 -1.9941 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6148 -0.4154 2.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0572 -0.6023 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6652 0.0333 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7970 0.8902 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3397 1.0729 -1.4013 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