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
6.7762 1.8704 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3321 0.7951 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7039 -0.2793 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2778 -1.3080 1.2681 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5846 -0.1629 -0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9991 -1.1411 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5562 -1.3578 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8263 -0.1596 -1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4964 -0.0320 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6853 -1.0515 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6503 -0.8796 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2273 0.3561 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 1.3906 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8969 1.1989 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6498 0.5929 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1276 1.7411 -0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4886 -0.3972 0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8369 -0.2131 0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7196 -0.4268 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0733 -0.2710 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5500 0.1041 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6711 0.3249 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3199 0.1572 1.8779 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2359 2.6603 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6881 1.9721 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4132 0.6790 2.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0232 -0.8466 -2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 -2.0836 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1703 -2.1503 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4394 -1.7775 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 -2.0274 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2440 -1.7063 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9044 2.3800 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 2.0517 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3530 -0.7273 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7549 -0.4453 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6018 0.2251 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0605 0.6201 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6403 0.3244 2.6869 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