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
-2.0947 0.3099 1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8818 -0.0436 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8966 -0.3519 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2254 -0.2545 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2334 -0.6174 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3822 -1.2991 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5252 1.1279 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5053 -0.1316 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5053 0.1597 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 0.0584 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0735 -0.2908 -1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9117 0.3498 0.7662 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2665 0.2781 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0960 0.6771 1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 1.2162 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6219 -1.1492 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1999 -0.8053 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4320 0.2482 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -1.5291 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4636 -1.5886 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9998 -0.9606 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7940 -2.1870 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6486 1.7817 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2447 1.6800 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0444 1.1161 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3036 -0.4332 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3010 0.4644 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0429 1.1163 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5786 1.4387 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3754 -0.2192 2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3050 1.9039 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5927 1.8587 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 0.6874 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7189 -1.7767 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3617 -1.5774 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0435 -1.2571 -0.9875 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