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
2.8877 -2.0167 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0266 -1.1035 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5187 0.1256 -0.1724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9206 0.3685 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0452 1.8290 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6860 0.0701 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4776 -0.4409 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -1.3483 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -0.3499 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6603 -0.5926 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0509 -1.7281 0.6066 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6177 0.3806 0.0439 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0029 0.1559 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3272 -0.2715 1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5519 -0.7971 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6894 1.4915 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9061 2.5077 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0106 2.0185 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1915 2.0323 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0625 0.0777 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4885 0.8000 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1674 -0.9418 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2110 -1.4934 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9773 -0.0162 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5636 -0.2382 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2248 -2.3401 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1615 0.6179 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3362 0.0725 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 0.2563 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1691 -1.3494 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4472 -1.2924 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8627 -0.2413 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8435 -1.5921 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1789 2.3260 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7188 1.3767 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8254 1.6466 -1.1294 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