Monomers
Diisopropyl fumarate
Identifiers
IUPAC name
dipropan-2-yl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5+
InchI Key
FNMTVMWFISHPEV-AATRIKPKSA-N
SMILES
CC(OC(=O)/C=C/C(=O)OC(C)C)C
Canonical SMILES
CC(C)OC(=O)C=CC(=O)OC(C)C
Isomeric SMILES
CC(C)OC(=O)/C=C/C(=O)OC(C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4458
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
30 29 0 0 0 0 0 0 0 0999 V2000
0.2337 2.1064 4.5851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 1.6156 3.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 1.7043 2.3146 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5862 0.5660 1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9865 -0.5095 2.0261 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0227 0.6379 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.4451 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6548 -0.4308 -1.9116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0521 0.6462 -2.4257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7746 -1.5791 -2.6783 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -1.5688 -3.9973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4454 -2.5767 -4.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2790 -2.0603 -4.9918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5695 2.3975 3.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 2.5527 4.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1248 1.3442 5.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 2.9445 5.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5434 0.5501 3.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3095 1.5714 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2418 -1.3886 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6230 -0.5637 -4.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0813 -2.3510 -3.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9700 -3.5755 -3.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0213 -2.5796 -4.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 -1.6684 -5.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3203 -3.1775 -5.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7050 -1.7650 -4.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4416 3.4767 3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2589 1.9794 2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 2.1469 4.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
2 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
11 21 1 0
12 22 1 0
12 23 1 0
12 24 1 0
13 25 1 0
13 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers