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
2.2572 0.0831 -1.6926 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7825 0.0262 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6154 -0.0302 0.5522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0262 -0.0284 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5063 1.2412 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5181 -1.2212 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5896 -0.1833 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3508 0.0190 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 0.0722 -1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9161 0.0686 -1.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6720 0.1204 -2.2254 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 0.0079 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9273 0.0038 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4792 1.2784 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3421 -0.0816 1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5963 -1.1468 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5441 1.4251 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5444 1.0893 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8814 2.1008 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5498 -1.4180 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4675 -0.9401 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9078 -2.0991 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9903 0.7686 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4078 -0.9484 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 -0.5906 2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0852 -0.0294 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0578 0.1224 -2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6603 1.7962 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8125 1.9514 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2914 1.0876 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0709 0.8286 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4494 -0.1552 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.9608 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8232 -0.8746 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5918 -1.2900 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0530 -2.0935 -0.4555 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