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
8.0353 0.8952 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3129 -0.1872 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1486 -0.4242 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 -1.4522 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7886 0.4611 -1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6628 0.2485 -2.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.2194 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2599 0.0075 -1.9664 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 -0.0405 -1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -0.2451 -2.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3381 -0.2919 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -0.1393 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2627 0.0634 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9649 0.1104 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 -0.1905 0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8171 -0.0571 1.9168 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8710 -0.3964 -0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1045 -0.4506 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7914 0.7367 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0442 0.7824 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5942 -0.3645 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8979 -1.5536 1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6626 -1.6163 1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7786 1.6151 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9151 1.1119 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5841 -0.8852 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7725 -0.6526 -2.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5500 1.1153 -2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4051 -0.5185 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 1.2393 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0466 -0.3647 -3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 -0.4519 -1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2744 0.1897 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 0.2719 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4132 1.6929 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5768 1.7338 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5766 -0.3366 2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3742 -2.4460 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1822 -2.5734 0.9747 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