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
-2.0962 -0.8218 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8924 -0.1044 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9746 0.3869 0.5772 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3208 0.1510 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1616 0.8912 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6796 -1.3098 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6546 0.6311 -1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 0.2095 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5169 -0.2473 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8676 0.0723 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0093 0.7933 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0047 -0.3696 -0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3183 -0.1079 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2978 -0.7869 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5357 -0.6684 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6607 1.3569 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1384 0.4143 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1784 1.9745 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6289 0.7108 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5307 -1.4958 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8353 -1.9186 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9762 -1.7247 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7702 0.9528 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1484 -0.1820 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4082 1.4451 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 0.8235 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3875 -0.8702 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9270 -0.0320 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9682 -1.4674 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 -1.3480 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5501 -0.8530 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0100 -1.6705 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1622 0.0054 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3036 1.8276 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 1.8957 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7690 1.4364 -0.0479 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