Monomers
Di-tert-butyl maleate
Identifiers
IUPAC name
ditert-butyl (Z)-but-2-enedioate
InchI
InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InchI Key
MSVGHYYKWDQHFV-FPLPWBNLSA-N
SMILES
O=C(OC(C)(C)C)/C=C\C(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H20O4
Heavy Atom Count
16
Molecular Weight
228.288
Exact Molecular Weight
228.1362
Valence Electrons
92
Radical Electrons
0
tPSA
52.6
MolLogP
2.226
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
36 35 0 0 0 0 0 0 0 0999 V2000
2.0974 -1.0108 1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6901 -0.3894 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 0.2538 0.0631 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9945 0.2768 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5968 1.0975 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2831 1.0030 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5808 -1.1015 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2668 -0.3578 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2044 0.2937 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6221 0.3325 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0189 0.9615 -1.8298 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5851 -0.2925 -0.0536 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9536 -0.2926 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4364 1.1444 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3694 -0.9745 -1.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6230 -1.0251 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5399 0.4691 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9168 1.9612 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6394 1.3795 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3780 2.1044 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1681 0.6321 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3752 0.9172 2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5581 -1.0999 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7465 -1.5289 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8822 -1.7803 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4456 -0.8629 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5052 0.8008 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5987 1.4927 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4401 1.1689 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7286 1.7927 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3798 -1.4077 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6996 -1.8378 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4626 -0.2935 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4751 -2.1001 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0881 -0.7002 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6823 -0.7631 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
4 7 1 0
2 8 1 0
8 9 2 3
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
6 22 1 0
7 23 1 0
7 24 1 0
7 25 1 0
8 26 1 0
9 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
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers