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
-2.1515 0.9178 -1.6321 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 0.3554 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5978 -0.0869 0.3233 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9893 0.0211 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4635 1.4559 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4484 -0.6934 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6677 -0.6328 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2328 0.1877 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5613 0.6464 -1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 0.4919 -1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8226 0.9044 -2.0977 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -0.1236 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9615 -0.2762 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1471 -0.9924 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6634 1.0522 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 -1.1113 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4674 1.7632 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5334 1.4523 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 2.1353 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8452 -1.6855 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5644 -0.9195 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1954 -0.1011 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -1.7281 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7524 -0.4510 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3479 -0.2003 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1589 -0.2870 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1817 1.1290 -2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3925 -0.5541 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9029 -2.0459 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1532 -0.8032 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2551 1.2029 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3936 1.0454 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9574 1.8854 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 -1.7023 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2529 -1.8089 -0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8735 -0.4427 -1.8756 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