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
-2.7190 -2.2273 -0.7029 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9240 -1.3207 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5045 -0.1368 0.0873 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8704 0.0468 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4281 -1.0041 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6301 -0.0228 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1127 1.3941 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4785 -1.4391 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2858 -0.4279 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7428 -0.5007 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 -1.5294 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 0.5705 0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9552 0.5279 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4674 1.8668 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4488 0.3365 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4865 -0.5424 1.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3699 -0.5814 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6002 -1.9621 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6863 -1.0727 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7087 0.1485 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5805 -1.0440 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2903 0.7674 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7266 2.2183 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1714 1.5199 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4847 1.3974 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0929 -2.3769 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1736 0.4763 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2640 1.9273 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9432 2.7101 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5650 1.8957 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6263 0.6860 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3623 0.8949 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6267 -0.7374 -1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7443 -0.7926 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4369 -0.2316 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7313 -1.4344 0.4086 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