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
-2.0671 -0.0501 -1.3551 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -0.0839 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9700 -0.1683 0.7166 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2774 -0.2180 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2033 -0.3072 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5452 1.0181 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4118 -1.4883 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 -0.0359 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 0.0460 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8137 0.0952 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 0.0614 1.3632 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8963 0.1796 -0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2262 0.2329 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4869 1.4205 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0944 0.3612 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5738 -1.0731 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8249 0.4219 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2495 -0.1224 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0297 -1.3402 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8166 0.7961 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3417 1.6417 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6427 1.6884 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0565 -1.2510 -1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4714 -1.8098 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7521 -2.2525 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.0657 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3468 0.0769 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7910 1.5547 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5093 1.3986 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4320 2.3253 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6093 0.9993 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0639 0.8716 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2704 -0.6210 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8494 -1.3548 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5869 -1.0752 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5132 -1.8720 -0.4020 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