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
2.4830 -2.1745 1.3578 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 -1.2027 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4876 -0.0608 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8908 -0.0034 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3846 1.3313 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4305 -1.1371 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3248 -0.1798 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 -1.2766 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2686 -0.2588 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 -0.3492 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3422 -1.3749 0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5042 0.6826 -0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 0.5676 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5429 0.3595 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4253 1.8895 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2953 -0.5080 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6040 1.2553 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6588 2.1242 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3162 1.5849 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2169 -0.7538 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8279 -1.9336 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6491 -1.5782 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2234 0.4268 2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5211 -1.2726 2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5086 0.1233 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1066 -2.1849 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 0.6125 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7148 -0.6795 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9287 0.8868 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5426 0.8667 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4689 2.6000 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7350 2.2009 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4457 1.6661 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3585 -0.4239 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0261 -1.5219 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6847 -0.3039 -2.2825 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