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
-6.5446 1.6224 -1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3376 1.3980 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7308 0.1511 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 -0.7054 -1.0655 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5214 -0.0652 1.1576 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9364 -1.2407 1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5318 -1.4026 1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7695 -0.2860 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 -0.1168 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7607 -1.0448 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 -0.8339 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2646 0.2803 0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 1.2018 1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7786 0.9977 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6832 0.4711 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3228 1.4791 0.7757 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4000 -0.4506 -0.3729 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7504 -0.2738 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7713 -0.7302 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0949 -0.5220 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4209 0.1607 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4002 0.6268 -2.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0899 0.4082 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2762 0.9044 -2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9970 2.5547 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6177 2.1371 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8656 -1.2094 2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5613 -2.1321 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0990 -2.3563 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5567 -1.4289 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2853 -1.9221 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1335 -1.5578 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0874 2.0749 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3418 1.7231 2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -1.2621 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8753 -0.8880 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4636 0.3060 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6517 1.1672 -3.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2920 0.7641 -2.4515 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