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
-2.7228 2.1725 -0.2331 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9773 1.1672 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5598 -0.0683 -0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9729 -0.2722 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6473 0.4283 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5750 0.2340 -1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2135 -1.7486 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5330 1.3497 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3124 0.3526 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7341 0.5866 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2541 1.7394 -0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6322 -0.4697 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0286 -0.2972 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4879 0.5462 1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5740 0.2302 -1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6303 -1.6757 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 0.8332 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2797 -0.2357 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2627 1.2844 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8382 0.2479 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9523 1.2811 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4317 -0.3739 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1885 -1.9087 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3810 -2.2074 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3261 -2.1524 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 2.3662 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0662 -0.6428 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5145 1.6263 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5283 0.2361 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8677 0.2892 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4263 0.9225 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7887 0.8212 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8884 -0.6102 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6394 -1.6253 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9522 -2.2254 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6530 -2.2013 -0.6504 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