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
4.3313 1.6287 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0127 0.2291 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6040 0.0371 -0.3565 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9677 -0.9098 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6824 -1.6152 -1.8861 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5274 -1.1141 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2894 -0.4170 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7043 -0.6851 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1447 -1.5756 -1.1654 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5977 0.0247 0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0025 -0.2238 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4923 -0.6996 1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6798 1.0732 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5985 -0.0443 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3414 1.9533 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5907 2.3182 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1180 1.7016 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4247 -0.5012 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1192 -1.8767 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1251 0.3461 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2416 -1.0453 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5857 -0.5336 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9431 -0.1369 2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3506 -1.8057 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9872 1.7889 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5421 0.9421 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0217 1.5405 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6901 -0.0496 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2361 -1.0481 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2135 0.6982 1.7133 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