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
8.2637 1.3168 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4328 0.5994 -1.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2935 -0.0266 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5006 -0.7147 -1.8801 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0381 0.0977 0.1705 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9428 -0.4911 0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6311 0.0150 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5986 -0.6209 1.0074 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2537 -0.3949 0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3363 -1.0727 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0402 -0.9074 1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 -0.0512 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5866 0.6208 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7805 0.4571 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9514 0.1526 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3703 0.9381 -0.7236 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9066 -0.5074 0.9203 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2545 -0.2853 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9903 0.6845 1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3360 0.8345 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9390 0.0095 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1949 -0.9677 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8697 -1.1147 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1230 1.7983 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1010 1.4395 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5920 0.4752 -2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9523 -1.5938 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9901 -0.3390 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5375 -0.1058 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5293 1.1118 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6751 -1.7643 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -1.4420 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 1.3063 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5089 0.9817 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5072 1.3249 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9315 1.6037 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0006 0.1337 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6904 -1.6157 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 -1.8860 -0.7434 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