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
2.0314 -1.9835 -0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 -0.8009 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 0.1936 -0.0667 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9652 -0.0862 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6642 1.2790 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4186 -0.8403 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 -0.8103 1.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 -0.5077 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2574 0.7160 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 0.9807 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1691 2.1404 -0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 -0.0631 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9707 0.0726 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4069 0.8405 -1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4813 0.7130 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5284 -1.3572 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3518 1.8413 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2486 1.7966 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7570 1.1617 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1959 -1.9216 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8732 -0.4815 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5149 -0.7441 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1373 -0.0977 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8534 -1.7637 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4723 -0.9485 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5004 -1.3287 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4326 1.5362 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2836 0.2961 -1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6651 1.8975 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5980 0.7942 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2895 1.8017 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9403 0.2504 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5515 0.5166 1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6113 -1.3773 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2240 -1.7968 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9458 -1.9192 0.5406 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