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
7.6972 2.7024 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1910 1.5191 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1242 0.9658 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6464 -0.1562 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6443 1.6762 -0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6269 1.2053 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3572 0.9746 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3234 0.4979 -1.8334 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0629 0.2201 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -0.2373 -2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 -0.5007 -1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4539 -0.3176 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 0.1447 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8321 0.4118 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7295 -0.5779 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 -0.3980 1.6003 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8485 -1.0416 -0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0532 -1.2841 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2412 -2.5827 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4127 -2.9445 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3961 -1.9841 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2019 -0.6922 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0291 -0.3424 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4732 3.0903 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3278 3.2596 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5358 0.9217 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4223 1.9995 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9182 0.2486 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4617 0.2449 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9992 1.9216 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 -0.3812 -3.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9600 -0.8548 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5660 0.3062 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6367 0.7712 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4785 -3.3459 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5797 -3.9457 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3353 -2.2125 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9585 0.0787 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8192 0.6393 0.0521 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