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
2.2502 1.8884 -0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 0.7530 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5613 -0.3782 -0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -0.2817 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5016 -1.7108 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4324 0.4563 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5404 0.3612 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3120 0.5895 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2786 -0.5828 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 -0.7033 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 -1.8319 -0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 0.3952 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9663 0.3020 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 -0.5065 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5750 -0.3348 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5003 1.7096 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7727 -2.2897 -0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5061 -1.7456 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5046 -2.1297 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4760 0.7793 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3235 -0.2589 -2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8269 1.3434 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5169 0.8520 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7366 -0.4251 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 1.1314 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3235 1.4742 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3198 -1.4678 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2496 -0.0160 1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6404 -1.5361 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5437 -0.5235 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6730 -0.0739 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5469 -1.4419 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1418 0.0271 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5315 1.6713 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3778 2.3462 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8838 2.1581 1.2057 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