Monomers
Dioctyl maleate
Identifiers
IUPAC name
dioctyl (Z)-but-2-enedioate
InchI
InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15-
InchI Key
TVWTZAGVNBPXHU-NXVVXOECSA-N
SMILES
CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC
Canonical SMILES
CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC
Isomeric SMILES
CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H36O4
Heavy Atom Count
24
Molecular Weight
340.504
Exact Molecular Weight
340.2614
Valence Electrons
140
Radical Electrons
0
tPSA
52.6
MolLogP
5.35
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
60 59 0 0 0 0 0 0 0 0999 V2000
-8.0313 -1.4693 1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4072 -2.2247 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0820 -1.6178 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3014 -0.1811 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0142 0.4651 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9894 0.5068 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7483 1.1936 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6584 1.2876 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5338 1.9078 0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4517 3.1722 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5731 3.8371 -0.3655 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6946 3.8264 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 3.3577 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4005 2.0679 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6336 1.8015 -1.1347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7175 1.0864 -0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -0.1869 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2087 -1.2105 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4411 -1.2579 -1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 -1.4930 -1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3685 -0.6471 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7408 -1.3113 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4226 -0.4593 1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5231 -0.4135 2.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2177 -1.0010 2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6398 -0.6384 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6030 -2.1309 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0608 -2.2319 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1720 -3.2706 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6729 -2.1576 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3236 -1.6691 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9835 -0.1560 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7463 0.4180 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5498 -0.0142 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2503 1.5218 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3267 1.1912 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6790 -0.4786 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4496 0.6444 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1029 2.1843 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3902 0.2938 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9740 1.9238 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5288 4.8929 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 4.0595 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9516 -0.5722 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6279 -0.1665 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9019 -2.2581 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3709 -1.0811 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4286 -0.4379 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2890 -2.1753 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4911 -1.5371 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8241 -2.5851 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7274 0.3471 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9066 -0.5116 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3425 -1.4141 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5349 -2.2970 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4241 -0.8344 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4753 0.5926 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8811 -1.3246 2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8118 0.4454 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1469 -0.3524 3.4847 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 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 3
13 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
1 25 1 0
1 26 1 0
1 27 1 0
2 28 1 0
2 29 1 0
3 30 1 0
3 31 1 0
4 32 1 0
4 33 1 0
5 34 1 0
5 35 1 0
6 36 1 0
6 37 1 0
7 38 1 0
7 39 1 0
8 40 1 0
8 41 1 0
12 42 1 0
13 43 1 0
17 44 1 0
17 45 1 0
18 46 1 0
18 47 1 0
19 48 1 0
19 49 1 0
20 50 1 0
20 51 1 0
21 52 1 0
21 53 1 0
22 54 1 0
22 55 1 0
23 56 1 0
23 57 1 0
24 58 1 0
24 59 1 0
24 60 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers