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
-2.1536 1.4371 1.3516 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6757 0.6052 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 -0.1381 -0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9647 0.0257 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6186 -0.9424 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2805 1.4634 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3364 -0.2904 1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2417 0.4283 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2190 -0.4541 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 -0.6377 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 -1.4518 -1.4200 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5203 0.1230 0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9042 -0.0144 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5327 0.9643 1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2811 -1.4424 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4417 0.2981 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5138 -1.3539 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9025 -1.7773 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8707 -0.4418 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7110 1.9701 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9762 1.4963 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3801 2.0415 -0.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4744 -0.7070 1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1398 -1.0803 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6788 0.6169 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4389 1.0176 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 -1.0493 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9129 0.9569 1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5975 0.7197 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 1.9724 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 -2.0489 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 -1.4447 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8663 -1.9498 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4671 0.7534 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8225 0.9858 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5197 -0.6515 -1.9352 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