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
-2.0125 -0.4408 1.3469 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9086 -0.1809 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9845 -0.1049 -0.7291 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2809 -0.3272 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5338 0.7045 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3452 -0.1282 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3218 -1.7357 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5675 0.0424 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5069 -0.0175 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 0.2131 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9275 0.4714 -1.3956 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9173 0.1513 0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2348 0.3583 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4681 1.7182 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5649 -0.6589 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1602 0.0618 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9522 1.6098 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6117 0.9409 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1560 0.3425 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4840 -1.0130 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0195 0.7729 -1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3232 0.1482 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3575 -2.2642 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1350 -2.3443 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5030 -1.6560 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4784 0.2700 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3936 -0.2395 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8935 1.7973 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 2.5417 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5428 1.7792 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2658 -1.6579 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1816 -0.3827 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6907 -0.6386 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7057 0.5080 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1895 0.4117 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2468 -1.0529 1.4577 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