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
6.9952 0.1046 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1447 -0.8124 -2.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4339 -0.7326 -0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6277 -1.6456 -0.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 0.2796 0.0967 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0284 0.5117 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.7566 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8894 -0.3269 0.7176 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5223 -0.3796 0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7574 0.7097 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 0.7544 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 -0.3585 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 -1.4509 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9053 -1.4802 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 -0.3670 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2281 -1.3656 -0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4398 0.7114 0.3867 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8137 0.6952 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6164 0.2260 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9846 0.2166 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5121 0.6749 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7243 1.1466 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3421 1.1526 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1987 0.9441 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5010 0.0306 -3.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9471 -1.6461 -2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5087 1.4151 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2479 -0.3215 2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 1.6319 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1331 1.1055 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2275 1.5865 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 1.6331 1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9764 -2.3133 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5208 -2.3228 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2489 -0.1456 2.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6300 -0.1521 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6016 0.6514 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1007 1.5109 -2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7247 1.5258 -1.7719 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