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
2.1620 0.7841 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6890 0.3157 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5611 -0.1757 0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -0.1824 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 -1.0070 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5170 -0.8602 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4726 1.2343 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2686 0.2516 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2181 -0.2484 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6416 -0.3038 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 -0.7729 -1.6677 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5071 0.1864 0.3322 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9039 0.1963 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4628 0.8198 1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4669 -1.1968 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3789 1.0461 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3492 -1.4022 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 -1.8849 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1667 -0.4107 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6012 -0.1055 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7834 -1.6143 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4611 -1.3891 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6374 1.9786 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2469 1.4628 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8718 1.3494 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4148 0.6382 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4586 -0.6279 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5192 1.0778 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2359 0.1283 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8195 1.7271 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7008 -1.3916 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7984 -1.9893 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4294 -1.2422 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4844 1.0871 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9069 2.0275 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1320 0.4938 -1.8704 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