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
-7.8905 -1.7274 -1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1019 -2.0521 -0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0856 -1.1296 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3192 -1.4460 0.8454 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8961 0.1164 -0.6817 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9154 1.0067 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5172 0.4764 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6406 1.4728 0.1315 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 1.3227 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 2.3274 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9151 2.2087 0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5495 1.0720 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7537 0.0624 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 0.1899 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0062 0.9337 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7642 1.8174 0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5677 -0.2272 -0.2054 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9374 -0.4428 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5053 -1.0298 0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8808 -1.2785 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6703 -0.9272 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1332 -0.3391 -1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7759 -0.1095 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6540 -2.3932 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8218 -0.7685 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2085 -3.0085 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1383 1.3112 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9907 1.9126 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2818 0.1884 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -0.4108 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9277 3.2272 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5257 3.0212 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 -0.8563 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2252 -0.6172 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8928 -1.3139 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3379 -1.7385 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7321 -1.1103 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 -0.0863 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3510 0.3456 -2.1185 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