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
-2.4429 0.7342 1.3447 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8151 0.2050 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 -0.3910 -0.6188 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9207 -0.3781 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3825 -1.0964 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4780 -1.0522 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 1.0519 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3748 0.2127 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3212 -0.3413 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7763 -0.3186 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4179 -0.8523 -1.4969 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.2663 0.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8992 0.3200 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5340 1.0351 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4446 -1.0869 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.1392 1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3727 -1.5519 0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4812 -0.4053 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6088 -1.8328 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3988 -2.1372 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5008 -0.6810 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8114 -0.7142 -2.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0886 1.2371 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5116 1.7617 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8756 1.2661 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1493 0.6847 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2079 -0.8084 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0541 2.0239 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6011 1.2492 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5811 0.4534 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 -1.6184 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5528 -0.9705 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3028 -1.5835 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9309 0.6323 2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6089 2.0699 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2791 1.4771 1.7559 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