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
6.8132 1.8656 -0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5343 1.7995 -1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6069 0.8941 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3946 0.8612 -0.8233 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0370 0.0924 0.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4091 -0.8221 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8014 -2.0381 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8024 -1.9303 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5318 -1.4896 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8965 -0.9858 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4143 -0.5559 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0950 -0.6211 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4597 -1.1293 -1.5641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8409 -1.5606 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4829 -0.1619 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1127 -0.2189 -1.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1732 0.3557 0.5354 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4874 0.7956 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8440 2.0774 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1840 2.3919 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1856 1.4650 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8223 0.1700 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4799 -0.1437 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2192 1.2489 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4553 2.5356 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1248 2.4085 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6619 -0.3252 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2059 -1.1530 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 -2.6060 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5580 -2.7212 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4237 -0.9412 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9110 -0.1599 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 -1.1670 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3057 -1.9491 -2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0919 2.8087 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4976 3.3942 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2357 1.7276 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5853 -0.5721 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2152 -1.1635 0.9558 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