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
2.0886 2.0063 0.6767 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6377 0.9049 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5401 -0.1144 0.0738 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9205 -0.0192 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4230 0.3455 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4273 0.9878 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4939 -1.4057 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2230 0.6347 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -0.5453 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6455 -0.8015 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 -1.8941 -0.6698 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5453 0.2295 -0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9195 0.0504 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5914 1.3786 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3625 -0.4147 -1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3451 -1.0013 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3942 1.4380 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -0.2490 2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 0.0721 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6201 1.7087 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6662 0.4224 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3291 1.5154 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9426 -2.1114 0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 -1.6232 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5764 -1.4449 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4659 1.4600 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 -1.3376 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8873 2.2304 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9155 1.3783 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4305 1.5540 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4443 -0.1251 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3305 -1.5016 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8361 0.0839 -2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2547 -1.9904 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3980 -0.8360 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 -0.9851 1.6585 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