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
2.1916 -2.0092 -0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6935 -0.9033 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5569 0.1378 0.2454 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9525 -0.1012 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6087 1.2112 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3230 -1.1170 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4590 -0.5510 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2725 -0.6115 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2204 0.5718 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6474 0.8267 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1374 1.9545 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5731 -0.1781 -0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9621 0.0899 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5111 0.5676 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3216 1.0526 -1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6362 -1.2488 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3647 1.4004 1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1920 2.0334 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7137 1.1529 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4709 -2.1338 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 -1.1847 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3056 -0.8320 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5494 -0.2983 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9189 0.0580 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3217 -1.6346 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3987 -1.4156 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4302 1.3876 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4012 -0.0333 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7738 0.5543 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8747 1.6173 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9390 0.5673 -2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8041 1.9731 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3814 1.3710 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9760 -1.7327 -1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6319 -1.0412 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6975 -1.8453 0.3235 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