Monomers
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
Identifiers
IUPAC name
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InchI Key
GSWRSQKYPYOMBE-WDZFZDKYSA-N
SMILES
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(/C)\C(=O)OCC(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
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
39 38 0 0 0 0 0 0 0 0999 V2000
-6.1545 0.1907 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6360 0.1485 0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9347 0.4913 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 0.4881 -0.5651 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8789 1.3360 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5611 2.1034 0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4194 1.3735 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3245 0.5642 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7919 0.6745 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2849 1.4882 0.6307 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 -0.1215 -0.9082 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9261 -0.2535 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7051 -0.7530 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6409 0.0411 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1898 -0.7113 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2711 -0.3942 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2905 -1.2870 1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5970 1.1181 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4154 0.1408 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6289 -0.6451 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4474 0.8480 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2475 1.5516 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3432 -0.1076 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 2.0685 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1561 -0.8916 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4306 0.7332 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5426 -1.8518 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7581 -0.1977 2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5226 -0.2599 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8297 1.1211 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8052 -0.8999 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3484 0.2956 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3008 -1.4980 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8333 0.1413 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -0.9365 -1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8762 -1.1221 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1964 -1.4778 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6748 -1.5690 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7766 -1.9403 0.2270 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 2 0
5 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
8 16 1 0
2 17 1 0
1 18 1 0
1 19 1 0
1 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
7 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
15 33 1 0
16 34 1 0
16 35 1 0
16 36 1 0
17 37 1 0
17 38 1 0
17 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers