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
-4.5443 -0.3862 -1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9396 0.0047 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5605 -0.2819 -0.1737 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6298 0.7275 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 1.8874 0.2385 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2210 0.4167 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2444 -0.7974 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6764 -1.0039 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1967 -2.1398 -0.5407 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5185 0.0480 -0.1246 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9157 0.0126 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3807 0.8855 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5369 0.5576 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5115 -0.8159 1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5498 0.0801 -1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8722 0.0081 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5834 -1.4835 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0794 1.0654 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4745 1.2579 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -1.6169 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -1.0255 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4359 1.9276 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4151 0.6470 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6679 0.9103 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6460 1.6621 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 0.3077 2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5657 0.1489 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5663 -1.8853 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5308 -0.4559 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8721 -0.6627 1.9228 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