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
2.0503 1.4681 0.0572 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 0.2208 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 -0.6229 -0.1816 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3197 -0.1189 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5211 0.8504 -1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5594 0.5412 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2517 -1.3065 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5739 -0.3247 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4907 0.4405 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8141 -0.1337 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 -1.3770 -0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9789 0.6006 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2706 0.0877 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6124 -0.6554 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2249 1.2881 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5946 -0.8092 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5706 0.9225 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9373 0.5101 -2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1916 1.8785 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1048 -0.1890 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2138 1.4427 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6249 0.8343 1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7781 -2.0589 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4675 -1.7455 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1774 -0.9688 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4908 -1.4180 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 1.4971 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1096 -1.6417 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4507 -0.0622 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7104 -0.8737 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2322 0.9826 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7478 1.9460 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1784 1.8404 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4587 -1.8850 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6428 -0.6746 1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9328 -0.4857 2.1077 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