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
-2.2626 0.9786 -1.7398 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7402 0.4585 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 0.0257 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9453 0.1834 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3090 1.6412 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4110 -0.6600 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5768 -0.3139 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3104 0.3155 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2115 -0.2402 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6696 -0.4131 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -0.9314 1.5728 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5406 0.0057 -0.4374 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9183 -0.1610 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4963 0.5525 0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6296 0.4098 -1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2357 -1.6309 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6379 2.2101 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2650 1.9781 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3613 1.7636 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2035 -0.1509 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5453 -0.9683 -1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8168 -1.6217 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8332 -0.9081 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9846 0.5123 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4094 -1.0202 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 0.6617 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4029 -0.5878 1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -0.0042 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5985 0.6286 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1327 1.5999 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1053 0.1147 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6626 1.5114 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6626 0.0127 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2147 -1.8684 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2138 -1.8945 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 -2.1896 -0.6431 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