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
-5.4421 1.9856 6.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7785 1.6107 5.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3732 1.3318 5.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7619 1.4526 6.3987 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6698 0.9121 4.1845 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2659 0.6368 4.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7202 0.1832 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 1.1674 2.0189 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 0.8613 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 1.7608 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 1.4708 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 0.2942 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8212 -0.6099 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2906 -0.3194 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 -0.0118 -3.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1490 0.7102 -4.0428 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9754 -1.1982 -3.1613 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5422 -1.5318 -4.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7304 -0.9257 -4.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3408 -1.2301 -5.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7564 -2.1609 -6.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5750 -2.7773 -6.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9702 -2.4550 -5.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4967 2.1976 6.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9611 2.0868 7.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2807 1.5082 4.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1877 -0.1781 5.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8295 1.5899 4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -0.7092 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 -0.0713 3.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0232 2.6762 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 2.1978 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3371 -1.5601 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -1.0401 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1864 -0.2001 -4.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2677 -0.7427 -6.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 -2.4407 -7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 -3.5091 -7.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -2.9628 -4.9583 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