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
7.6111 1.9493 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6396 2.1327 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4171 1.3446 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5131 1.5362 1.2239 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2799 0.3989 -0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1235 -0.3826 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8629 -1.2523 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7234 -1.9906 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 -1.6437 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 -2.6838 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8701 -2.4512 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3823 -1.1788 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 -0.1550 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 -0.3702 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8209 -0.9133 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6231 -1.8656 -0.2119 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3436 0.3625 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7072 0.6015 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3063 0.8313 -1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6573 1.0697 -1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4533 1.0845 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8976 0.8606 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5411 0.6249 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5293 2.5286 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4676 1.1964 -1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7892 2.8894 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3041 -1.1379 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2413 0.2153 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9020 -0.6570 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7430 -1.9443 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -3.7008 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5529 -3.2887 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8112 0.8605 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5495 0.4723 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6495 0.8124 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0775 1.2453 -2.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5321 1.2762 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5254 0.8710 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1213 0.4516 1.9889 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