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
-2.1367 -0.7504 1.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 -0.3332 0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5396 0.0216 -0.3435 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9265 -0.0620 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4221 -1.4610 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5270 0.3670 -1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4988 0.8459 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -0.2252 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 0.2174 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7125 0.3212 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1953 0.7389 -1.9399 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5565 -0.0457 0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9621 0.0597 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3758 -0.8137 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -0.3934 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3897 1.4766 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3104 -1.7074 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6779 -1.6268 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6099 -2.1631 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4332 -0.5108 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8450 1.1471 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5404 0.7573 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5881 0.5980 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0696 0.6775 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3859 1.9138 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 -0.5106 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3905 0.4989 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4112 -1.1373 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3351 -0.1933 -2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6681 -1.6521 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6584 -0.0677 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4943 -1.4995 1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 0.0077 2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4881 1.5271 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2491 1.7649 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 2.2130 0.3784 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