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
7.8302 -0.3648 1.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0899 -0.2591 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0406 -0.1395 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3061 -0.0391 -2.0292 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6899 -0.1306 -0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6715 -0.0139 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 -0.0412 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3071 0.0724 -1.6578 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9694 0.0778 -1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 -0.0243 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7933 -0.0145 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7685 0.1006 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3327 0.2032 -1.9494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0115 0.1922 -2.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1754 0.1157 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0069 0.2222 -1.2895 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5957 0.0097 0.9842 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9636 0.0289 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6493 1.2035 1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0062 1.2437 1.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7327 0.0714 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0658 -1.1081 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6889 -1.1449 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8098 -0.3644 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6137 -0.4514 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1135 -0.2584 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8310 0.9327 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7546 -0.8243 -2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3494 0.8380 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 -1.0042 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3133 -0.1139 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1197 -0.0950 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0816 0.2957 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3176 0.2760 -3.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0702 2.1389 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5238 2.1783 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8095 0.1145 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6317 -2.0162 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1633 -2.0701 1.0524 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