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
-7.6613 -0.9312 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7333 0.0003 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5219 0.3115 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5705 1.1887 0.8259 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3357 -0.3368 -0.2838 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1186 -0.1230 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 1.2808 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4729 1.6551 0.7757 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2248 1.1844 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9639 0.2596 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3421 -0.1817 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4216 0.2635 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1460 1.1949 1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1243 1.6479 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7740 -0.2165 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9269 -1.0650 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8771 0.1985 0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1759 -0.2677 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -1.3799 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8857 -1.8633 0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7186 -1.2445 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2882 -0.1357 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0093 0.3423 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7561 -1.4758 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5341 -1.1778 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6299 0.5352 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -0.9224 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3153 -0.3309 1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6237 1.4056 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4731 2.0259 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7649 -0.1172 -1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 -0.9205 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9966 1.5655 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3406 2.3771 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0001 -1.9063 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2572 -2.7471 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7149 -1.6650 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9435 0.3598 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6467 1.2114 -1.1965 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