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
1.2849 -0.2143 -0.0391 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3885 0.9595 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7501 1.3245 -0.7047 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7655 0.4118 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 1.0634 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 -0.8547 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8132 0.0227 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3359 1.8942 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9264 1.7517 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6049 0.5685 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 -0.5150 0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0304 0.5719 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7541 -0.5326 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3672 -0.9342 1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5798 -1.7502 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2100 -0.1198 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8986 0.3322 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8984 1.6828 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3135 1.7723 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6929 -1.3116 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4596 -0.6303 -2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9887 -1.6015 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7529 0.3457 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9813 0.5150 1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6540 -1.0756 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6671 2.8893 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5950 2.6145 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 -0.0271 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6835 -1.7887 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2611 -1.1266 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8111 -2.4036 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5547 -2.3106 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2898 -1.4767 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3226 0.9892 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7361 -0.6029 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6874 -0.4330 -0.4546 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