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
-2.0597 1.0017 -0.7583 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8862 0.0870 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0141 -0.4853 0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3309 -0.0990 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3436 -0.9078 1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5566 1.3784 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4805 -0.4527 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5320 -0.2966 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 0.2941 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8707 -0.0726 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0546 -0.9716 1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 0.5348 -0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2585 0.1613 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5172 -1.3183 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5819 0.3677 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2818 0.9400 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5391 -0.5353 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3031 -0.9883 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9256 -1.9529 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6762 1.5274 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1380 1.7871 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2074 1.8895 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0741 0.4048 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5448 -0.6196 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -1.3393 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3445 -1.0708 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3255 1.0696 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9152 -1.5567 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1640 -1.9198 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 -1.4386 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2120 1.3325 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2603 -0.4977 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6921 0.4048 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2955 0.5180 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0301 0.8113 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2888 2.0126 -0.4884 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