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
-2.1545 1.3169 0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8855 0.0912 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9595 -0.7812 0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2609 -0.2995 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5896 0.4798 1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6538 0.5181 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1900 -1.5220 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5090 -0.3804 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4995 0.4691 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8741 -0.0412 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0845 -1.2752 0.0155 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9728 0.7891 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 0.3166 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 -0.6063 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6114 -0.3677 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2349 1.5079 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3739 1.5611 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6880 0.3913 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1171 -0.0002 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7351 -0.1707 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7068 0.8622 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9831 1.3490 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2334 -1.2446 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9686 -2.0530 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7965 -2.1883 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -1.4462 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3011 1.5198 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7326 -1.6511 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5886 -0.3417 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8388 -0.6031 2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6978 -0.4988 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1956 0.3053 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0433 -1.3070 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4633 1.7157 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2305 1.1909 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8608 2.3942 -0.3359 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