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
-2.0503 1.3998 -0.1128 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8786 0.1639 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0497 -0.6024 0.0771 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3385 -0.0421 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6379 0.9370 1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4942 0.6214 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3186 -1.2211 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5615 -0.4513 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5099 0.3092 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -0.2426 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0860 -1.4740 0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9916 0.5649 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 0.1034 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2448 1.2704 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5273 -0.5990 1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6538 -0.8750 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2702 0.6343 2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2726 1.9331 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7495 1.0294 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0948 -0.1151 -2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9821 1.5782 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5908 0.6998 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4940 -1.5966 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2515 -0.9307 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8411 -1.9988 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4821 -1.5216 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4251 1.3791 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 1.1678 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6909 2.2220 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9016 1.3285 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7399 -1.6888 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6602 -0.4490 2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4271 -0.1936 1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2716 -0.5900 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7766 -0.8715 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3325 -1.8790 -0.6848 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