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
-2.1160 -0.0387 1.8186 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6813 -0.1163 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -0.3045 -0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9894 -0.4026 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4733 0.8756 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3133 -1.6146 0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7457 -0.4988 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 -0.0093 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5534 0.1679 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 0.2869 1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7791 0.4536 2.2509 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5354 0.2077 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8823 0.2993 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9866 0.1550 -1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 1.6672 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7574 -0.7410 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 1.7237 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2678 0.8813 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5815 0.9468 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6085 -1.2493 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4585 -2.3112 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1527 -2.1653 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0461 -0.5629 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3604 -1.4289 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4269 0.3471 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1684 -0.0722 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1354 0.2296 2.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6564 1.1386 -2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9956 -0.1262 -2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2251 -0.6075 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5412 1.6626 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4077 1.7561 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8863 2.4110 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8232 -0.4164 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6497 -0.8598 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6367 -1.6845 -0.2392 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