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
2.1876 1.5703 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7250 0.4326 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6399 -0.5786 -0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0391 -0.3787 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4924 0.6461 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5140 -0.0328 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6903 -1.7000 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 0.2363 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5048 1.2666 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 1.1628 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6480 2.1560 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5935 -0.0378 0.1048 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9968 -0.1628 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6391 0.1896 1.3957 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 -1.6065 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5107 0.6742 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6422 1.1127 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9929 1.4652 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2251 0.2315 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2968 0.7486 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8646 -0.9376 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6505 0.3551 1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3287 -2.4706 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -1.9062 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8016 -1.5346 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 -0.7096 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0694 2.2477 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2377 -0.4737 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4865 1.2236 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7277 0.0309 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1091 -1.7824 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6369 -2.2417 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3906 -1.8358 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5270 0.3554 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7723 0.5260 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4746 1.7580 -0.8404 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