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
6.8691 -2.1429 0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3166 -1.3064 1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6494 -0.0961 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1181 0.7126 1.7366 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5858 0.1941 -0.4105 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9590 1.3407 -0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4902 1.4052 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8389 0.2736 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 0.1521 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 -0.9778 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4863 -1.1289 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 -0.2064 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6058 0.9086 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7620 1.1054 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6369 -0.4121 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1742 -1.4446 -0.8159 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4621 0.4637 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8084 0.1610 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3208 -0.5792 1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6648 -0.8776 1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5169 -0.4127 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0177 0.3301 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6637 0.6228 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3617 -3.0351 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8308 -1.9369 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3409 -1.4899 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4491 2.2714 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0354 1.2951 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2989 1.4983 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0626 2.2947 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -1.7234 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9602 -2.0154 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1239 1.6675 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2639 1.9877 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6321 -0.9288 2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0929 -1.4555 2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5882 -0.6441 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6840 0.6920 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3135 1.2128 -1.3479 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