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
-2.2018 0.6480 -1.6246 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7577 0.1684 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6640 -0.3131 0.3765 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0642 -0.2833 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3969 -1.0967 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7369 -0.9901 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5743 1.1342 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 0.1426 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5130 0.6080 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9601 0.5964 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7306 1.0492 -1.9595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5685 0.0910 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9694 0.0802 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2805 -0.5356 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5714 1.4532 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5994 -0.7867 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5496 -0.3901 -1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3496 -1.6337 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5779 -1.7716 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8491 -0.8483 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4098 -0.6377 2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5803 -2.0851 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3549 1.4427 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0621 1.8109 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6726 1.1462 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0845 -0.2637 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 1.0163 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2566 -1.1001 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4691 0.2706 2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4983 -1.2395 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4825 1.4351 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8803 2.1860 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9090 1.7578 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5483 -1.2469 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7842 -0.1849 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9087 -1.6296 -1.0736 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