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
2.8079 2.1194 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9592 1.2364 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4785 0.0715 0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8689 -0.0840 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6010 -0.0038 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4743 0.9262 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1034 -1.4992 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5373 1.4218 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 0.4670 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 0.5964 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2531 1.6320 -0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5410 -0.4230 -0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 -0.4188 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4435 -0.2670 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4303 -1.7808 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5762 0.6467 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0352 -0.5830 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8420 1.0178 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5773 -0.5376 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6337 1.8979 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9475 0.9947 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 0.5364 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1683 -1.7059 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6459 -2.1874 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4966 -1.5650 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1549 2.3214 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0984 -0.4712 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1006 0.6586 -1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2203 -1.1472 -2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5618 -0.2155 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5880 -2.4864 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9602 -1.6742 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1663 -2.2284 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8372 0.9311 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7991 1.5748 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4930 0.2282 1.2337 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