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
-1.2122 -0.0818 0.1754 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3411 0.7588 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6915 1.1360 -0.9425 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7227 0.6056 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8662 -0.8750 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5189 1.0732 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0382 1.2307 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2997 1.3281 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9501 1.1115 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6638 0.2236 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1776 -0.5042 0.2477 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0825 0.1386 -0.7943 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7586 -0.7340 0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2365 -0.7270 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4950 -0.2608 1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1928 -2.1377 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 -1.3755 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7132 -1.1346 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 -1.3062 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4922 1.1816 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 0.3495 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9748 2.0380 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9013 0.6295 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0954 2.2924 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9463 1.2511 -1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 2.0634 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5713 1.6772 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5043 -1.3056 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5424 0.3199 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7412 -1.0831 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8806 0.6665 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9142 -1.0408 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4469 -0.0639 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9871 -2.8521 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7424 -2.4585 0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3866 -2.1345 -0.9158 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