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
1.2139 0.3489 -0.2091 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.7486 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9244 -0.9837 0.2472 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8026 -0.0308 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2110 -0.5916 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6789 1.2407 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5670 0.2971 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6831 -1.7744 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5910 -1.7870 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 -0.7430 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 0.3389 0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8978 -0.8843 0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7537 0.1317 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1806 -0.3267 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5467 1.4336 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7487 0.4049 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2517 -1.1379 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4025 -1.3051 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9582 0.2460 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6145 1.3766 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4746 2.1189 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8465 1.1813 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2107 -0.5949 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5501 0.5582 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9143 1.1800 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 -2.6969 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0588 -2.6968 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2930 -1.3994 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3980 -0.1678 1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9175 0.2434 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5383 1.2606 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4383 2.0773 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6686 1.9936 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6950 0.9318 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7391 -0.5346 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8887 1.0397 -1.4529 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