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
-1.9122 -1.2438 0.6607 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8118 -0.1422 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 0.5435 -0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2659 0.1028 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4637 -0.1028 1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6825 -1.1560 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2398 1.2040 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4971 0.3367 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5626 -0.3808 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8922 0.1003 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 1.1990 -0.9847 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0443 -0.6154 -0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 -0.1147 -0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2895 0.0551 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3265 -1.1679 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 1.2189 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2796 -1.1473 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5158 0.1411 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8303 0.6287 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9485 -1.9702 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6368 -1.4933 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8830 -1.0031 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9179 2.1123 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0301 1.3742 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2837 0.9196 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3723 1.2755 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5155 -1.3419 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3291 -0.0893 -2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0291 1.1092 -2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5947 -0.6644 -2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -1.7131 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2968 -0.6634 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4041 -1.9454 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3775 1.2900 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 1.3370 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1845 2.0072 -0.5079 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