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
6.9513 -1.5052 2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7612 -1.6162 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8857 -0.6774 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3256 0.2361 0.8092 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6543 -0.7525 -1.1911 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8167 0.1370 -1.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4309 0.0257 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 0.8944 -2.0056 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2155 0.8872 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7853 0.0594 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5396 0.0421 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4524 0.8823 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0281 1.7173 -1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3136 1.7190 -2.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8506 0.9032 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 1.6672 -1.0054 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2955 0.0685 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6199 0.0490 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0389 0.9036 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3535 0.8907 2.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2881 0.0511 1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8827 -0.7968 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5604 -0.7869 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6010 -2.2028 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4522 -0.7048 2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2494 -2.4048 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1629 1.1793 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8074 -0.0418 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 -1.0089 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3257 0.1765 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4466 -0.6183 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9035 -0.5958 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7403 2.3869 -2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5612 2.4081 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 1.5586 2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6657 1.5684 3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3200 0.0664 2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5969 -1.4551 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2417 -1.4629 -0.3875 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