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
6.4490 -1.4186 2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2630 -0.8983 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7308 -0.0158 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4510 0.5198 -0.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3721 0.2861 0.1535 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8632 1.1511 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3616 1.3035 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7845 0.0190 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4134 -0.1724 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6208 0.9442 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7432 0.7995 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3504 -0.4353 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 -1.5321 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8305 -1.4162 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7939 -0.5934 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3417 -1.7170 -0.3432 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5941 0.5052 -0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9619 0.3153 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5392 0.0540 1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8971 -0.1277 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6927 -0.0559 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1065 0.2029 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7469 0.3880 -1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3968 -1.2077 2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8013 -2.0837 2.8934 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3144 -1.1108 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3757 2.1331 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1079 0.7072 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2211 1.7330 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9392 2.0396 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 1.9146 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3842 1.6659 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 -2.5115 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 -2.2887 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9293 -0.0046 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3762 -0.3299 2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7564 -0.1970 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7057 0.2622 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3334 0.5877 -1.9880 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