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
-0.5618 0.6726 -0.9613 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5264 0.6183 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6803 1.2532 -0.6962 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7213 1.8584 -1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1545 2.4079 -2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5685 0.8768 -3.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7317 2.9822 -2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5841 0.0243 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 -0.6017 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6588 -0.8782 1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 -0.5026 0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5246 -1.5868 2.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8489 -1.8707 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5667 -0.5451 1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 -2.7153 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5084 -2.6217 3.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8082 1.6058 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2460 3.2605 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4448 2.6147 -3.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0942 1.3258 -3.9578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5034 0.7903 -3.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0361 -0.0921 -2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0209 3.0648 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 3.9585 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2131 2.8392 -3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5839 0.1228 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9790 -0.9969 2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9058 -0.4456 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8961 0.3226 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4805 -0.4624 2.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9911 -3.1968 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6902 -3.5399 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3387 -2.1126 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 -3.4287 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0616 -1.9379 3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7022 -3.0635 3.6329 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