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
-2.0817 1.6845 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6740 0.6974 0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5500 -0.2653 0.0884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9272 -0.1018 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4679 1.1792 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6367 -1.2470 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2776 -0.2425 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2700 0.4989 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2254 -0.5221 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 -0.6811 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1309 -1.6520 -1.1742 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5823 0.2522 -0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 0.0868 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6502 1.2841 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3409 0.0988 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4331 -1.1384 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0998 1.0045 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1124 1.6779 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6358 1.8604 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7191 -1.1123 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2867 -2.1763 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3787 -1.2350 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4253 -1.3158 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1925 0.3529 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4720 0.1178 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4274 1.2573 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 -1.2613 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3606 2.1619 -0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1592 1.4573 1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7316 1.1441 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6925 0.8232 -2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3677 -0.8910 -2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3794 0.5100 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1770 -2.0555 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5363 -1.0703 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8653 -1.1816 1.4018 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