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
2.0906 -0.8610 -1.7011 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6733 -0.2947 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5671 0.2976 0.1967 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9306 0.2263 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4126 -1.2226 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1763 0.9297 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7003 0.8667 1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2598 -0.2256 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2147 0.3746 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6313 0.4169 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1521 0.9665 1.9499 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 -0.1826 0.0529 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8891 -0.1971 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3738 -0.8666 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4766 -0.9833 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4091 1.2189 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7067 -1.8014 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3613 -1.6015 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4257 -1.3512 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1226 1.4718 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2168 0.1545 -2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3168 1.5847 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3992 0.3592 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7787 0.6158 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5395 1.9440 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4252 -0.7036 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 0.8361 1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4502 -0.2155 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4251 -1.2208 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7768 -1.7827 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9683 -0.5782 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 -2.0556 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5455 -0.7462 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8579 1.6740 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3135 1.8103 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4764 1.1427 -0.2821 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