Monomers
4-Butoxyphenyl 4-[2-(acryloyloxy)ethoxy]benzoate
Identifiers
IUPAC name
(4-butoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C22H24O6/c1-3-5-14-25-19-10-12-20(13-11-19)28-22(24)17-6-8-18(9-7-17)26-15-16-27-21(23)4-2/h4,6-13H,2-3,5,14-16H2,1H3
InchI Key
MLVGJHUPVVXAFC-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C22H24O6
Heavy Atom Count
28
Molecular Weight
384.428
Exact Molecular Weight
384.1573
Valence Electrons
148
Radical Electrons
0
tPSA
71.06
MolLogP
4.1927
H Bond Acceptors
6
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
52 53 0 0 0 0 0 0 0 0999 V2000
-10.3719 1.5738 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9068 1.4999 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3097 0.2368 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8440 0.2360 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1986 -0.9161 0.5424 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8315 -1.0717 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1271 -2.1677 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7669 -2.3446 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 -1.4127 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 -0.3213 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1452 -0.1413 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -1.5021 -0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2528 -0.9790 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 -0.3931 1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6725 -1.0528 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1152 -1.6788 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4455 -1.7613 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4250 -1.2048 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 -0.5831 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6402 -0.5161 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7301 -1.3033 -1.0936 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8371 -0.8101 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9787 0.6872 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2064 0.9197 0.3412 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6565 2.1947 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9523 3.1493 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9018 2.4661 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6527 1.4913 1.7739 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5106 1.4441 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8988 0.7579 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7477 2.5510 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3778 2.3755 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8257 1.4640 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8326 -0.6615 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3781 0.2944 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8460 0.1987 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3463 1.1691 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6656 -2.8918 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 -3.1959 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 0.4322 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7044 0.7321 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 -2.1097 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -2.2462 -2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7347 -0.1746 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3560 -0.0155 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7897 -1.2576 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9010 -1.1608 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1601 1.2161 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1547 1.1216 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2087 3.4867 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5567 1.7053 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3678 0.4702 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
18 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 2 3
11 6 1 0
20 15 1 0
1 29 1 0
1 30 1 0
1 31 1 0
2 32 1 0
2 33 1 0
3 34 1 0
3 35 1 0
4 36 1 0
4 37 1 0
7 38 1 0
8 39 1 0
10 40 1 0
11 41 1 0
16 42 1 0
17 43 1 0
19 44 1 0
20 45 1 0
22 46 1 0
22 47 1 0
23 48 1 0
23 49 1 0
27 50 1 0
28 51 1 0
28 52 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers