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
-5.0988 0.3484 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2981 -0.1029 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0223 0.4759 -0.1769 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8395 -0.2544 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 -1.5052 -0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5328 0.3685 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5435 -0.3794 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 0.2184 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0081 1.4625 0.1269 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0270 -0.5483 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3011 0.0376 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0162 -0.3085 1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1756 -0.3322 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0596 0.3342 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3844 0.5398 1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8078 -0.4751 1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6485 1.2910 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2853 -1.2013 -0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4208 1.4402 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 -1.4519 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1779 1.1357 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4194 -0.0295 2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2325 -1.3904 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9520 0.2890 1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2369 -0.3093 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 -1.3757 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9438 0.3704 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2486 1.4395 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5915 0.0509 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0624 -0.1379 -1.4305 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