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
2.7646 2.1333 0.1036 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9980 1.1438 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5565 -0.0830 -0.2274 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9283 -0.3381 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7243 0.0397 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5383 0.3647 -1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1002 -1.8297 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5444 1.3435 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2924 0.3233 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7204 0.5340 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 1.6811 0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6507 -0.4900 0.0709 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0446 -0.2078 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5232 0.7703 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3654 0.2562 1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8232 -1.4959 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8109 -0.0208 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5634 1.0841 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6122 -0.6811 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8759 0.3854 -2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9139 1.3871 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4426 -0.2106 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8875 -1.9970 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3869 -2.3898 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1641 -2.0557 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1595 2.3355 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1225 -0.6784 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5948 0.5988 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9445 0.7335 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4869 1.8259 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6158 0.9245 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3622 0.7495 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4602 -0.6445 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3951 -2.3055 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8732 -1.3616 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7775 -1.8249 -1.0670 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