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
7.5628 -1.4319 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9805 -0.2712 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0252 0.7541 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4386 1.8322 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6824 0.5106 -0.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6922 1.4780 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3609 0.8613 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2836 1.7139 -0.6293 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9628 1.3708 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0185 2.2733 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3527 1.9560 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 0.7420 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7897 -0.1672 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5388 0.1587 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1966 0.4182 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0518 1.2653 -0.3687 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 -0.7938 0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9123 -1.1753 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5655 -0.9212 1.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8804 -1.2839 2.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5724 -1.9144 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9569 -2.1882 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6380 -1.8155 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2789 -2.1635 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5208 -1.6162 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0626 -0.0757 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8760 2.4083 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8163 1.7023 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2570 0.6177 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2533 -0.0647 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 3.2413 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0902 2.6774 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1331 -1.1245 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2841 -0.5663 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0159 -0.4239 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3946 -1.0803 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5976 -2.2086 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4982 -2.6884 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1065 -2.0067 -1.2871 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