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
6.7172 2.3569 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3888 1.2865 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8147 0.0990 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6463 0.1352 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4625 -1.0270 0.9869 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9100 -2.1819 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5990 -1.9476 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6346 -1.4561 0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3465 -1.1477 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8481 -1.2864 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 -0.9518 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3083 -0.4809 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7836 -0.3526 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 -0.6740 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6982 -0.1235 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2080 -0.2265 -1.6571 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4909 0.3421 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8154 0.7043 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0817 2.0181 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3926 2.4649 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4622 1.6025 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1599 0.2947 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8701 -0.1600 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1355 3.2135 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5715 2.3869 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5348 1.2611 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8315 -2.9419 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6386 -2.5339 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2593 -2.8671 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7454 -1.1805 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5195 -1.6558 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8442 -1.0660 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4132 0.0142 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8652 -0.5515 2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2990 2.7604 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5856 3.4990 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4908 1.9457 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9896 -0.3871 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6280 -1.1853 0.7728 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