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
7.5288 -4.3479 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8211 -3.5007 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6862 -2.8347 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4101 -3.1015 1.9928 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8895 -1.9268 0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7719 -1.2516 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7361 -2.2907 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 -1.7953 1.5728 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6453 -1.0266 0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6999 -0.6432 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 0.1517 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3636 0.5699 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 0.1821 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4407 -0.6020 1.7292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3937 1.3968 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3597 1.7552 -1.9182 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4929 1.8410 0.0258 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4699 2.6349 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4558 3.9968 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4482 4.7410 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4996 4.0983 -1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5483 2.7135 -1.7465 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5421 1.9778 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2851 -4.5652 1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3677 -4.8419 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0649 -3.2839 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1230 -0.7266 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3684 -0.4859 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4943 -2.9282 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1564 -3.0490 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5073 -0.9668 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2239 0.4385 -1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 0.5083 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4809 -0.9129 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6243 4.5105 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4431 5.8260 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3174 4.6188 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3923 2.2194 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6381 0.9009 -1.1671 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