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
8.6694 0.8759 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4549 1.3518 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3031 0.4582 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4394 -0.7889 -0.1536 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0379 0.9707 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9233 0.1566 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5898 -0.7706 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 -1.5338 -0.6404 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1754 -1.3064 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -2.3830 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0221 -2.1975 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 -0.9406 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7420 0.1082 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6046 -0.0758 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 -0.7359 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7222 -1.7426 0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6255 0.5029 0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9851 0.6940 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4104 0.9259 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7430 1.1178 1.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6890 1.0873 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2241 0.8515 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8927 0.6558 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5032 1.5447 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8885 -0.1851 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2913 2.4093 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0680 -0.4848 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 0.8111 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4586 -1.4694 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4630 -0.2292 -1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7209 -3.3819 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6923 -3.0371 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2060 1.0976 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1452 0.8476 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6954 0.9614 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1165 1.3050 2.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7547 1.2382 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9431 0.8215 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5450 0.4699 -1.6077 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