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
4.5499 -0.7173 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8669 -0.5658 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5358 -0.1371 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5127 -0.8966 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -1.9627 1.2009 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1148 -0.4944 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1950 0.6260 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5856 0.9986 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 2.0496 -0.7912 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5520 0.2036 0.3539 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9216 0.5065 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4168 0.7406 1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6368 -0.5987 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6015 0.4801 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7459 -0.9870 -1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9778 0.2669 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 -1.5334 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8962 -1.5068 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6345 -1.1328 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6064 1.2288 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0231 1.4777 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4741 0.4308 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3090 1.8008 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7633 0.1609 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0265 -1.5204 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6713 -0.3302 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6820 -0.7454 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9857 1.3037 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8703 0.8626 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4102 -0.0085 1.6168 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