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
-5.7431 1.0975 2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4312 0.5590 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8412 0.4835 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4871 -0.0310 -1.1177 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5789 0.9673 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9085 0.9446 -1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7008 -0.4364 -2.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9656 -1.2565 -1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6566 -1.1912 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 -2.1835 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1370 -2.1951 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -1.2186 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 -0.2553 -0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -0.2302 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4014 -1.2182 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -2.0796 1.1931 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2845 -0.2193 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6101 -0.1715 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6133 -0.8054 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9339 -0.7654 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3126 -0.0808 1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3098 0.5528 1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9876 0.5146 1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7492 1.4814 1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1430 1.1764 3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4131 0.1787 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9928 1.5239 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5230 1.4881 -2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2159 -0.4093 -3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7204 -0.8816 -2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8638 -2.9516 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4721 -2.9770 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2419 0.5318 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0323 0.5554 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3231 -1.3464 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7232 -1.2613 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3409 -0.0318 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5622 1.1045 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1916 1.0098 2.0994 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