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
7.1156 1.1368 -2.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9916 1.7731 -2.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7775 1.0063 -2.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7109 1.6233 -2.9216 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8127 -0.3528 -2.8022 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7665 -1.1910 -3.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6048 -1.2459 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0003 0.0069 -2.0527 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9063 0.1570 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 -0.9351 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6603 -0.8647 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2950 0.3434 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8334 1.4532 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2721 1.3657 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4441 0.4278 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0547 1.5268 1.5446 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9394 -0.6682 2.0494 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0225 -0.5402 2.8734 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3036 -0.7130 2.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3858 -0.5824 3.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1732 -0.2685 4.5869 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8713 -0.0981 5.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7872 -0.2289 4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1394 0.0640 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9990 1.6773 -1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9542 2.8485 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1932 -2.2472 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4230 -1.0017 -4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8505 -2.0099 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9924 -1.6306 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8941 -1.9034 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0001 -1.7744 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3442 2.3953 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 2.2410 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4401 -0.9533 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3693 -0.7220 2.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0314 -0.1704 5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7133 0.1479 6.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 -0.0926 4.5778 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