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
2.2528 0.9897 1.5888 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7173 0.3748 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 -0.1988 -0.2878 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0068 -0.0869 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4894 -0.6964 1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5170 1.3134 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6246 -0.9399 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2904 0.2430 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5439 0.7759 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 0.6650 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7713 1.1922 2.0107 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5858 -0.0101 0.1159 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9506 -0.1681 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6924 1.1328 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5567 -0.9075 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1256 -1.0103 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5370 0.0470 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9106 -1.5879 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5430 -1.0352 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 1.4346 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7454 2.0321 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8504 1.5342 -1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5249 -2.0194 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0388 -0.8157 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6790 -0.6967 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0872 -0.2975 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1533 1.3197 2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1704 1.8178 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9383 1.5988 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6684 0.8930 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 -1.7975 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5899 -1.2210 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6092 -0.2512 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3789 -1.8516 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1433 -1.4081 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8184 -0.3643 -2.2093 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