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
7.6066 1.2040 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6735 0.4933 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4220 0.1754 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4500 -0.5044 1.7594 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2077 0.6222 0.2275 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9705 0.3587 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -1.0964 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4204 -1.3337 1.5503 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2111 -0.9604 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 -1.2249 1.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1526 -0.8720 1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 -0.2572 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2058 -0.0073 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0396 -0.3497 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6728 0.0966 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8818 0.6549 -1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7575 -0.1963 0.4123 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0607 0.0715 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8135 -0.8581 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1478 -0.6346 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7153 0.5689 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9508 1.4912 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6176 1.2683 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6648 1.5498 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5046 1.4405 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5990 0.1216 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 0.7366 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2345 1.0324 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4758 -1.6271 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6076 -1.5472 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -1.7039 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0508 -1.0759 1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2881 0.4788 -1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8939 -0.1400 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3753 -1.8183 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6766 -1.4006 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7661 0.7658 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3735 2.4374 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0524 2.0404 1.0213 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