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
7.4914 0.9430 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5408 0.3135 -1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5937 -0.5584 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6833 -1.1613 -1.4343 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7285 -0.6939 0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 -1.4601 1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4984 -1.0980 1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7665 -1.1501 0.2603 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 -0.8150 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.4429 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5453 -0.1151 1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3247 -0.1434 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7108 -0.5137 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6287 -0.8420 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 0.2081 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2182 0.5349 1.5885 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5843 0.2066 -0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9337 0.5459 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2473 1.8754 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5543 2.2967 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5682 1.4011 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2438 0.0758 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9306 -0.3383 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5894 0.8303 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1671 1.5698 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4025 0.3982 -2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9679 -2.5303 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3279 -1.4556 2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3985 -0.0258 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0226 -1.7080 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 -0.4150 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9746 0.1704 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -0.5446 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1181 -1.1344 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4879 2.6184 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7890 3.3545 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5682 1.7937 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0609 -0.6120 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6843 -1.3783 -0.1259 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