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
-2.2235 -0.4931 -2.6941 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -0.3996 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3707 -0.6963 -0.4442 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7114 -1.1065 -0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9497 -2.3695 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6310 -0.0226 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1330 -1.3317 0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2879 0.0176 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2875 0.1111 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6947 0.5386 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3493 0.8121 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3592 0.6574 0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7043 1.0655 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6326 0.1325 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9294 2.4528 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.9973 2.4889 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0336 -2.5909 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3343 -3.1933 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6904 -2.2689 -2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5793 0.8360 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6292 -0.4614 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3117 0.3155 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8020 -0.5437 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6551 -2.3087 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 -1.3491 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2652 0.2521 -2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 -0.1171 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4263 -0.9275 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6582 0.3348 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6620 0.3705 -0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4237 2.4184 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9276 2.9286 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5556 3.0073 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9199 1.7170 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2291 1.2637 3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3756 -0.0491 2.7715 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