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
7.3680 -0.3228 1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5433 0.7106 1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 0.8592 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8769 1.8525 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6406 -0.0820 -0.8271 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8328 -0.0813 -1.9565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3825 -0.2247 -1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 0.7840 -0.8664 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4891 0.7148 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9027 1.6926 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4420 1.6388 0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2536 0.6179 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6598 -0.3501 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.3100 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6729 0.5626 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1413 1.4807 1.1785 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5174 -0.4323 0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8714 -0.4891 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7736 0.1410 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1221 0.1523 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6200 -0.4824 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7429 -1.1187 1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3694 -1.1192 1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3443 -1.0436 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0525 -0.4350 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5552 1.4570 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2147 -0.9196 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0194 0.8446 -2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1824 -1.2077 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7694 -0.2538 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5592 2.4827 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8317 2.4356 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2831 -1.1739 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1346 -1.0858 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3743 0.6402 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7732 0.6505 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6886 -0.4661 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1879 -1.6032 2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7036 -1.6086 2.1387 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