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
-2.7731 2.5610 0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6928 1.9598 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6446 0.6521 0.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 -0.0360 1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -0.0615 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2108 -1.4720 1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9147 0.5319 2.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6562 2.6654 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 2.2911 -0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 0.9924 -0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 0.0450 -0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4148 0.7687 -1.3693 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9740 -0.5148 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0862 -0.8546 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 -1.5685 -1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 -0.5859 -1.8239 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8649 -0.3736 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6152 -0.8365 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4818 0.9027 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1849 -1.5243 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8678 -2.0398 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1987 -2.0204 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3397 -0.0524 3.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6222 1.6014 2.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0015 0.4079 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 3.7398 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1234 3.0657 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0692 0.0853 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 -1.4521 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0188 -1.4479 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -2.0282 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7751 -2.3548 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -1.0962 -2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3617 -0.9093 -2.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9361 0.3521 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9129 -1.3932 -1.2672 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