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
7.5757 0.4255 -2.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5735 -0.9206 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0130 -0.8153 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 0.0203 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9783 -0.2468 1.0946 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7225 -0.3715 0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2850 -0.1279 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9490 -0.2830 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 -0.6704 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4639 -0.9022 1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7544 -0.7741 1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6549 -0.8174 -0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 0.3096 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3777 1.4004 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5573 0.3090 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1906 -0.8282 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5154 -0.8806 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2786 0.2911 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6768 1.4440 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 1.4411 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5938 0.1504 -1.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5675 1.1063 -1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0258 1.6259 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6032 0.7460 0.8054 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1554 -0.3526 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9927 -0.7321 1.2515 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9748 -1.1528 2.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2304 -0.7996 2.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9332 0.3691 -3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2248 1.1750 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6117 0.5957 -2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6150 -1.4178 -1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3257 -1.5628 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0635 -0.3728 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1923 -1.8462 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8312 0.0992 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2842 1.1246 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9711 0.2047 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5945 -0.0939 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7213 -1.2100 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1407 -0.9497 2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 -1.7591 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -1.7974 -1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2413 2.3472 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8815 2.3509 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4519 0.8642 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1371 2.0217 -1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7130 2.4909 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1652 2.1195 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5823 -2.0270 2.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8216 -1.3896 3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6704 0.0693 2.1378 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