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
7.3949 1.3603 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2779 1.5329 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7359 0.5445 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3842 -0.5120 -0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5671 0.7241 -0.7662 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0201 -0.2245 -1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7261 -1.5309 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8357 -1.4978 0.0563 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 -1.1862 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7450 -0.8507 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6171 -0.5358 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2453 -0.5548 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4977 -0.8889 1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8341 -1.1942 1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 -0.2332 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2068 -0.2606 1.5680 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4573 0.1082 -0.6485 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8165 0.4176 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2492 1.7016 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5879 2.0073 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5205 0.9968 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1095 -0.2935 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7696 -0.5979 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9329 0.4278 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7416 2.1216 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 2.4519 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1912 0.1552 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 -0.4424 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6828 -2.0402 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -2.2122 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2096 -0.8487 -2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1582 -0.2832 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 -0.9036 2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 -1.4610 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5278 2.4865 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8751 3.0400 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5551 1.2252 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8189 -1.1300 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4596 -1.6191 -0.7987 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