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
-2.1900 -1.5333 1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 -0.5933 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5820 0.2697 -0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9505 0.0690 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3109 0.1485 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4179 -1.2739 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7156 1.1753 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2531 -0.4335 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 0.5634 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 0.7193 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 1.6442 -1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 -0.1628 0.0896 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9385 -0.0449 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5204 -1.1914 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4658 1.2373 0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 -0.2181 -1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5179 0.7282 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3080 -0.8817 1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2958 0.6523 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9186 -1.5750 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5023 -1.1675 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3239 -1.9922 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5449 2.1214 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7611 0.8778 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2642 1.2377 -1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3789 -1.1324 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 1.2648 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9552 -2.1152 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3089 -0.9700 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6109 -1.2957 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8571 1.5319 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5176 1.0382 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4186 2.0855 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0025 0.4950 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3801 -1.2793 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5469 0.0004 -1.3604 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