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
8.0181 -1.3158 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0076 -1.9266 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6946 -1.3085 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7086 -1.8911 -1.1433 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4186 -0.0572 -0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1590 0.5751 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6356 0.8296 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 1.4426 -1.4531 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2154 0.9712 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0985 1.8194 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1281 1.3975 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3407 0.1265 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2497 -0.6997 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0220 -0.2900 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 -0.3259 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8028 -1.4966 0.7654 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7205 0.5308 0.2908 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9674 0.1311 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3607 0.2922 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6278 -0.1158 2.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4936 -0.6880 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0895 -0.8421 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8437 -0.4404 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9979 -1.7393 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8782 -0.3263 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1479 -2.8980 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4527 0.0338 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2880 1.5697 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4702 -0.1555 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3793 1.4419 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1878 2.8370 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 2.0668 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3583 -1.7160 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -1.0423 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7033 0.7401 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8843 0.0371 3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4806 -1.0101 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7532 -1.2949 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5623 -0.5817 -1.2067 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