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
7.8719 1.2952 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9123 0.7768 1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6308 0.3815 1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7235 -0.1146 2.1208 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3536 0.5298 0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1222 0.1564 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8150 -1.3099 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -1.6206 -1.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -1.3097 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8002 -0.5009 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5615 -0.2257 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -0.7794 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9546 -1.6000 -1.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3927 -1.8562 -1.7469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8678 -0.5100 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6716 -1.0262 -1.4058 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4240 0.2997 0.3952 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 0.5584 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2781 1.6423 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6230 1.9796 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4657 1.1815 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9969 0.0835 1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6633 -0.2064 1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7367 1.4481 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8037 1.5840 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0641 0.6369 3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 0.3964 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 0.7646 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -1.6626 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6350 -1.8287 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4530 -0.0582 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9403 0.4185 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6728 -2.0327 -2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7473 -2.5024 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6393 2.2813 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9869 2.8419 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5100 1.4281 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7187 -0.4862 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2621 -1.0543 1.7535 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