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
-2.1859 1.3782 1.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 0.5818 0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 -0.2005 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9493 -0.1840 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4729 -0.5323 1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5089 1.1952 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5015 -1.1845 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2670 0.4393 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -0.3992 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 -0.5190 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 -1.3314 -1.4831 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5940 0.2283 0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9812 0.1372 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5212 -1.2452 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4647 0.6330 -1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5899 1.0589 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5322 -1.6030 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9325 -0.0198 2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5337 -0.1499 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6278 1.0762 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3165 1.4021 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1261 1.9799 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6366 -0.6577 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7623 -2.0038 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4576 -1.6233 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3850 1.0608 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -1.0157 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6580 -1.7488 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5425 -1.1418 0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8807 -1.8198 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5784 -0.1848 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4819 1.0553 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 1.4428 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1418 2.0711 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1578 0.7516 1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6772 1.0726 0.9168 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