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
-2.6560 2.2083 0.6181 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9267 1.2128 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5682 0.0151 0.1262 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9766 -0.1194 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4933 0.2631 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3662 -1.5335 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6361 0.7791 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4799 1.3482 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3230 0.3314 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 0.5305 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2129 1.6622 0.4136 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5984 -0.5026 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0042 -0.4282 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4995 -1.8382 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5409 0.4692 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5903 -0.0403 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6470 1.3613 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4183 -0.2909 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6848 0.0116 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6288 -2.0676 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3895 -1.6277 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4194 -2.0893 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9090 1.7727 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0361 0.8567 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5947 0.2877 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0516 2.3109 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0560 -0.6666 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4509 -2.4109 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9350 -2.2909 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5811 -1.7365 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6532 -0.0884 -2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9212 1.3417 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5363 0.8287 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8354 0.0541 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3241 -0.8087 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1793 0.8944 1.1447 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