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
7.9625 -1.8324 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2022 -1.6462 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0154 -0.7935 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6698 -0.2184 1.3856 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2343 -0.6169 -0.7974 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0649 0.2193 -0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4642 0.1963 -2.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 0.9215 -2.3057 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 0.8605 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -0.0570 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6759 -0.0550 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5944 0.8735 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1774 1.7991 -1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1121 1.7966 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9628 0.8677 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7844 1.7216 -0.7016 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4035 -0.0487 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7100 -0.0600 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0636 0.6598 2.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3543 0.6440 2.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3333 -0.1061 2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9758 -0.8136 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6755 -0.7985 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8380 -2.4443 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6973 -1.3495 2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4929 -2.1403 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4273 -0.0538 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4418 1.2479 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 0.6365 -2.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4025 -0.8680 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3312 -0.8124 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9841 -0.7905 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 2.5192 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4417 2.5180 -2.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3117 1.2382 2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6361 1.2123 3.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3505 -0.1440 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7522 -1.4008 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4286 -1.3758 -0.3860 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