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
2.0455 1.0116 1.8231 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6081 0.4641 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5802 -0.0025 -0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9495 0.1454 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7247 -0.4460 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3718 1.5583 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2736 -0.6889 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1831 0.3029 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2179 -0.2869 -0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6337 -0.4527 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0282 -1.0109 -1.9204 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 0.0048 0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9594 -0.0894 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5799 0.5545 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3449 -1.5473 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4816 0.5710 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7812 -0.5869 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6640 0.2341 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2723 -1.4367 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 1.6591 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7610 2.2484 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4233 1.8147 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 -1.6619 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9109 -0.1119 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 -0.9413 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 0.6765 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5143 -0.6511 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3375 -0.1322 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6504 0.7341 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9968 1.4810 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4494 -1.6360 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7845 -2.1145 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0490 -1.9306 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8024 1.3318 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7549 -0.1609 -2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4241 1.0965 -1.1011 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