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
6.6813 0.4891 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5534 1.0530 1.9579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5676 0.3108 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4944 0.8228 0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -0.9698 0.8263 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1546 -1.9227 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8511 -1.6908 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0612 -0.6402 -1.6624 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7465 -0.4100 -1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8665 -1.2159 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4557 -0.8874 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9511 0.3037 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1073 1.1503 -1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 0.8017 -1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3485 0.6661 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7612 1.7616 -1.2303 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2448 -0.1405 -0.1047 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5829 0.2482 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9765 0.9752 1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2839 1.3528 1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2579 1.0248 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8563 0.2954 -0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5456 -0.0846 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4221 1.0006 2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8820 -0.5521 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3554 2.0756 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8100 -2.8700 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2458 -2.2711 0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3101 -2.6359 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7914 -1.7293 -1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -2.1792 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -1.5620 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5060 2.1078 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 1.4678 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2272 1.2403 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5493 1.9177 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2991 1.3195 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6151 0.0296 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2376 -0.6530 -1.7143 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