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
-7.6891 2.1212 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1034 0.9006 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1631 -0.1714 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5396 -1.3515 -0.1525 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7929 0.0479 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8451 -0.9530 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4587 -0.3373 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4525 -1.3040 -0.1824 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 -0.9373 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1083 -1.8561 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2295 -1.4795 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -0.1673 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 0.7447 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7753 0.3745 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 0.2244 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 1.4235 0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9647 -0.7259 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2833 -0.3100 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0389 -0.2945 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3499 0.1305 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9585 0.5604 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2253 0.5549 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9048 0.1225 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6357 2.3399 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3627 2.9500 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1537 0.6857 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9373 -1.8252 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9644 -1.2994 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3544 0.1463 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3234 0.4428 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3889 -2.8734 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 -2.2119 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 1.7778 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 1.1158 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5482 -0.6357 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9358 0.1411 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9880 0.9036 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7135 0.8943 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3658 0.1311 -2.1200 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