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
1.2227 0.2195 -0.4842 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 -0.4735 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 -0.6273 0.5693 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8738 -0.0314 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5881 -0.5319 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2766 -0.4778 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 1.4591 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7218 -1.0773 1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 -1.0483 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5347 -0.3965 0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2676 0.2885 -0.3488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 -0.4855 0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8700 0.1423 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2800 -0.1014 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6667 1.6330 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7599 -0.4722 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3453 0.3135 -2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6548 -1.1565 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4158 -1.1514 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9170 -0.2480 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6878 0.0965 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3312 -1.5420 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8338 1.9220 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 1.8014 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3864 1.7683 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -1.6645 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0264 -1.6084 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9784 -0.2555 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2938 -1.0622 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6183 0.6762 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6568 2.0595 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4277 2.1107 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9398 1.8701 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6210 -1.1346 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8550 -1.1255 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7457 0.3110 -2.0756 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