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
6.4487 -2.1362 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1727 -0.8972 1.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7013 0.0313 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4256 1.2340 0.9968 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5392 -0.3584 -0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0958 0.4317 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6986 0.9323 -1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8775 -0.2073 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5251 -0.0374 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -1.1235 -0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6525 -0.9765 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2345 0.2679 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3952 1.3524 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9481 1.2068 -0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 0.4270 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1049 1.5975 0.0462 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5185 -0.6273 0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8548 -0.3700 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7999 -0.2142 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0988 0.0370 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5080 0.1435 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5807 -0.0085 2.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2631 -0.2635 1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3177 -2.4302 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8043 -2.8866 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2930 -0.5520 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7826 1.3016 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1194 -0.1853 -2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6590 1.5729 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 1.5915 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1505 -2.1118 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2987 -1.8407 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8639 2.3347 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5753 2.0759 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4996 -0.2938 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8315 0.1565 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5561 0.3455 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8749 0.0701 3.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5696 -0.3753 2.5154 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