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
-9.2130 0.0997 -1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3421 0.3975 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0969 0.9327 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8743 0.0942 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2989 -0.3791 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0250 -1.1964 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 -0.4074 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5325 0.8047 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5313 1.5657 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2524 1.0715 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 -0.0965 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3293 1.9456 1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 1.7244 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6142 0.5063 1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 -0.5673 0.7574 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9531 0.4441 1.7456 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7089 -0.7494 1.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0606 -0.5066 2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8155 0.6009 1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0457 0.3192 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8451 -0.9494 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0873 -1.2604 -1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8565 -0.1516 -2.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2001 0.0438 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3605 0.5411 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2331 -0.9917 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1140 0.5384 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1251 1.2143 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7081 -0.5187 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2445 1.2989 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7820 1.9027 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0068 -0.8034 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1136 0.7071 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0731 0.3777 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9912 -1.1403 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3035 -2.0500 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7065 -1.5590 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -1.0924 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2941 -0.1809 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4223 1.4951 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2335 0.4960 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 3.0036 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4690 2.5559 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 -1.0931 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2443 -1.5870 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9053 -0.1797 3.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6460 -1.4456 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8124 0.6968 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2846 1.5571 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1333 0.3417 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6881 1.1707 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8469 -0.7930 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3553 -1.8186 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1075 -1.3241 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6221 -2.2227 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0141 -0.3898 -3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2306 0.7593 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6428 -0.9494 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8542 0.6673 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0449 0.5485 -0.6043 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