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
2.1385 1.1467 0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8955 0.0300 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9876 -0.7256 -0.4343 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3284 -0.3258 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2085 -1.4339 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6619 -0.1685 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6614 0.9452 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -0.4324 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4956 0.3020 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8744 -0.1215 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1446 -1.2350 -0.7181 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 0.6445 0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2973 0.3059 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1323 1.4648 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7173 0.1721 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7113 -0.9223 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0211 -2.3726 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9429 -1.5993 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2851 -1.1154 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7005 -0.5097 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9593 -0.8047 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6196 0.8880 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2919 0.7528 -1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 1.4931 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2899 1.6061 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -1.3959 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3091 1.2524 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5319 2.4063 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3438 1.3034 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0737 1.5922 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3651 -0.7679 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8418 0.2312 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2837 1.0218 -1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6249 -0.7398 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8108 -1.0566 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1944 -1.8318 0.4952 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