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
6.5433 1.9410 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2440 0.8412 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6617 -0.4761 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3551 -1.5161 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3215 -0.6683 -0.4052 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7996 -1.9950 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3211 -1.8029 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -1.1280 0.1599 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -0.7763 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9175 -0.1149 1.3147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4132 0.2656 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3018 -0.0126 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8352 -0.6740 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5003 -1.0534 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6845 0.3936 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0470 0.9928 1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6534 0.1576 -0.4045 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9755 0.5410 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4472 1.7575 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7667 2.1356 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6722 1.2549 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2217 0.0298 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8776 -0.3219 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4927 1.8761 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9614 2.9064 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2909 0.9179 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3299 -2.5537 -1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8735 -2.5685 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8462 -2.7686 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2052 -1.1552 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6076 0.1067 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 0.7863 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5343 -0.9041 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8240 -1.5622 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7613 2.4520 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1083 3.0987 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6917 1.5308 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9357 -0.6434 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5981 -1.2902 0.6563 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