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
-6.9009 -0.0729 2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4070 -0.9225 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7373 -0.4311 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2468 -1.2393 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5963 0.9092 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9722 1.4763 -1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5249 1.0968 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 1.5065 -0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4170 1.2546 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6874 1.6432 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6653 1.4054 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3295 0.7369 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5977 0.3381 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 0.5840 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7603 0.4681 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3848 0.8520 1.3552 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3865 -0.2020 -0.7038 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7678 -0.4409 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7064 0.4570 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0606 0.2083 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5073 -0.9515 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5776 -1.8614 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2311 -1.5995 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8172 0.9807 2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3967 -0.4296 3.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4802 -1.9846 1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4783 1.1063 -2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1292 2.5789 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1085 1.6532 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4599 0.0066 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 2.1718 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2565 1.7095 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 -0.1832 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 0.2662 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3484 1.3809 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7643 0.9377 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5623 -1.1735 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9193 -2.7756 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4659 -2.3054 0.3859 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