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
-8.4733 2.2314 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1002 0.8208 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5989 0.8784 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -0.4645 1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2140 -1.1347 1.0732 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9075 -0.9092 0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2252 -1.8819 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -1.7752 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 -0.6789 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.2872 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1522 0.1715 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8213 -0.5884 -0.2044 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1595 -1.1087 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2457 -1.6606 1.6893 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5774 -1.0459 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -0.4397 -0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3296 -0.3592 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3130 -0.8797 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8906 -1.4838 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 -1.5634 1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6611 -0.8013 -0.6693 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0242 -0.1669 -1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5089 -0.1560 -2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2284 0.5080 -1.1036 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9956 1.8690 -0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1531 2.5120 -1.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7773 2.5061 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6761 1.8343 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1696 2.4143 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5631 2.3682 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9683 2.9657 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2755 0.5073 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9949 0.1992 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7813 1.5972 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4344 1.3017 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0074 -0.4182 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1314 -1.1179 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7804 -2.7471 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3762 -2.5353 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 1.1389 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6151 0.9351 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3009 -0.0030 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6817 0.1111 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6491 -1.9006 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2423 -2.0507 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5845 0.8285 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5821 -0.7880 -2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6806 0.3527 -3.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8855 -1.1891 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6050 3.5489 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8629 0.7794 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2322 2.3233 1.6547 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