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
7.1359 -1.3030 1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5677 -0.1305 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8205 0.5242 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2864 1.6399 0.6081 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6484 -0.0324 -0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9322 0.5878 -1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4999 0.8594 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7636 -0.3036 -1.2528 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4114 -0.1472 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 -1.2509 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7364 -1.0833 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2972 0.1759 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5325 1.2842 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7977 1.0859 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6925 0.3661 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2269 1.4929 0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4998 -0.7215 0.2992 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8558 -0.5864 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8426 -0.6267 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1891 -0.4946 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5498 -0.3144 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6002 -0.2666 2.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2720 -0.4037 1.9241 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6803 -1.7463 2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0876 -1.8538 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6636 0.3528 2.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9549 -0.0883 -2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3887 1.5414 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3507 1.5872 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0345 1.3093 -2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0619 -2.2430 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3329 -1.9480 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 2.2913 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3912 1.9726 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5678 -0.7683 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9353 -0.5338 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6079 -0.2121 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9006 -0.1245 3.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4770 -0.3738 2.6778 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