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
7.4406 -1.6718 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6448 -1.3767 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7191 -0.2400 0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9608 0.0237 1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6725 0.5103 -0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8393 1.5912 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3773 1.3159 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 0.8009 0.4743 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4717 0.5372 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6444 0.7535 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7034 0.4897 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 -0.0147 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5007 -0.2427 1.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 0.0281 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7285 -0.2893 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2229 -0.7503 1.6087 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5151 -0.0533 -0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8677 -0.3361 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3281 -1.5833 -0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6910 -1.8742 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6178 -0.9333 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1446 0.3102 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8089 0.5887 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4238 -1.0948 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1464 -2.4987 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6748 -1.9664 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0965 1.9534 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 2.4716 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8793 2.2969 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0735 0.6164 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 1.1526 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.6799 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9994 -0.6466 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4552 -0.1612 2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6431 -2.3543 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0493 -2.8580 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6512 -1.2118 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8534 1.0517 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4428 1.5747 0.1898 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