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
7.0641 2.0737 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5548 1.8115 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8107 0.5702 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3017 0.2673 -1.3079 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6273 -0.3520 0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9303 -1.5285 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5137 -1.4098 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7236 -0.6998 1.1406 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 -0.4762 0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5963 0.2192 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7485 0.4252 1.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3259 -0.0682 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5772 -0.7632 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7627 -0.9624 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7478 0.1635 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 0.7970 1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4148 -0.3000 -0.8778 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7863 -0.0587 -1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2615 1.0595 -1.6972 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6237 1.2615 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5013 0.3192 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0621 -0.8173 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7035 -0.9832 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6220 2.9915 1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9315 1.3678 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6969 2.5320 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4377 -2.2278 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9494 -2.0957 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 -1.0478 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0932 -2.4606 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 0.6015 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 0.9812 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0318 -1.1578 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 -1.5141 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5397 1.7896 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9891 2.1544 -2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5696 0.4523 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7973 -1.5209 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3393 -1.8677 -0.0550 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