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
-4.6746 -1.3762 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9064 -0.1785 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0785 -0.2364 1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7150 -0.2793 1.2947 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8077 0.6122 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2724 1.6844 0.3305 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.3439 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5023 1.2077 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 0.8902 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7094 1.7558 -0.1781 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 -0.2386 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6859 -0.8120 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3743 -1.2549 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6552 -0.1358 -1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6852 -1.9728 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 2.5031 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9784 1.1094 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5780 -1.4584 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6024 -2.2694 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8133 -1.2214 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9803 -0.3669 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4526 0.5782 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3900 -1.1756 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -0.5836 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3862 -0.1264 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5344 -1.7410 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 -2.0268 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4834 -0.5249 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0386 0.7265 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 0.0771 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4371 -3.0218 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1494 -1.4809 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3319 -1.9297 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 2.3266 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9470 3.1026 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 3.1486 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0267 1.1801 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9519 1.9538 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2581 1.2115 -1.4060 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