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
2.1571 1.8552 -0.7577 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6939 0.8412 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6050 0.0168 0.4624 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9862 0.2390 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3729 1.5277 1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6060 -0.8994 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5945 0.2039 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2683 0.5754 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2213 -0.4846 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6523 -0.7966 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1144 -1.8116 0.9779 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5803 0.0225 -0.2419 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9626 -0.2596 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5588 -0.3117 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6349 0.9124 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3174 -1.5085 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1802 1.3766 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4746 1.9768 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7841 2.2631 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8567 -1.2290 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7857 -1.7281 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5304 -0.5980 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1210 1.1419 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 0.0621 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2383 -0.6941 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3796 1.2572 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4265 -1.1820 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6577 -0.1925 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3815 -1.2790 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1555 0.5557 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9893 1.3307 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5824 0.5968 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8669 1.7405 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3259 -1.8384 -0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 -2.3305 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4273 -1.3522 -2.0847 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