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
6.6729 1.5189 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2523 1.7066 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6993 0.5884 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3144 0.8417 -1.5439 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5990 -0.6793 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0607 -1.7159 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6491 -1.4003 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -1.2408 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4837 -0.9452 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9314 -0.8046 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -0.5083 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 -0.3495 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -0.4895 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6709 -0.7858 1.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6293 -0.0406 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1129 0.0833 -1.6299 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5188 0.1362 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8745 0.4356 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3099 1.7357 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6355 2.0488 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5284 1.0055 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1247 -0.3053 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8018 -0.5722 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6327 0.5586 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0739 2.3527 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3152 2.6849 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6262 -1.8117 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1386 -2.7041 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5114 -0.5650 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 -2.2924 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5547 -0.9269 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8009 -0.4087 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2494 -0.3795 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 -0.9037 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5552 2.5213 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9751 3.0811 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5894 1.2198 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8762 -1.0966 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4647 -1.5933 0.2872 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