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
2.3040 -0.1766 -2.0628 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 -0.0561 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5034 0.1176 0.1621 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8984 0.1584 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4142 1.2760 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4226 0.4254 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5189 -1.1231 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 -0.0903 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 0.0433 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7244 0.0164 0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2136 0.1443 1.7079 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5884 -0.1534 -0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9992 -0.1759 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3650 -1.3138 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6391 -0.3806 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3880 1.1356 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4880 1.4183 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9193 2.2478 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3327 0.9964 -1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5030 0.6721 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8469 1.2886 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2297 -0.4789 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2992 -1.5051 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0501 -0.9875 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8010 -1.9399 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3615 -0.2244 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 0.1812 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4427 -0.9245 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3520 -1.6788 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6278 -2.1183 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5794 0.5849 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0384 -1.1319 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6969 -0.7118 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1816 1.6015 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 1.8499 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8333 1.0132 1.3586 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