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
2.3045 -0.3008 1.6667 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7620 -0.0854 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 0.0713 -0.5406 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -0.0137 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4255 -1.3523 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5913 0.1027 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5159 1.1238 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3237 0.0035 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4560 -0.1458 1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9212 -0.0627 1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6761 -0.2043 2.2917 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5277 0.1744 0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8964 0.2694 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5886 1.3535 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1005 0.5472 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6115 -1.0453 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3876 -1.2896 1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 -2.1624 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4681 -1.5075 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6138 -0.3148 -1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9092 -0.4600 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5551 1.1759 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4303 0.7755 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7439 2.0146 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 1.4578 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1211 0.1889 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0232 -0.3315 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4964 1.6499 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9810 0.9851 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9882 2.2779 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4120 -0.0949 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1312 0.2872 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9120 1.6031 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5297 -1.2136 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6758 -0.9626 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1206 -1.8270 -0.4100 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