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
-4.4033 -0.9561 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9826 0.1600 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5763 0.2991 -0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9163 1.4597 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6142 2.4392 -0.9771 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4616 1.5367 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2825 0.5156 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.6553 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2751 1.7614 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 -0.3451 0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9896 -0.1296 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6759 -1.1622 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4443 -0.2632 1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4425 -0.2197 1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5478 -1.6359 -1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2941 -1.4986 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6279 -0.5464 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4825 1.0937 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 2.4801 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2238 -0.3929 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2060 0.8992 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 -0.7372 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4780 -1.6303 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9440 -1.9952 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6686 0.2689 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4211 0.2081 1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4610 -1.2950 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6785 0.6768 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6441 -0.7929 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3178 -0.9277 1.0608 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