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
5.0687 -0.0574 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3010 -0.0044 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0306 -0.5828 0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8793 0.1596 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0350 1.3629 -0.5503 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5618 -0.3977 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 0.3138 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -0.2495 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 -1.4343 0.4538 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0123 0.4884 -0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3146 0.0313 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0014 0.0342 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1070 0.8392 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0625 -0.7579 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3655 -0.0862 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7759 -0.8989 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6797 0.8764 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 1.0612 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4790 -1.4148 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3906 1.3313 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3645 -1.0393 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6345 -0.8683 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2484 0.0164 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6770 0.9170 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8993 1.9364 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8587 0.6113 2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2016 0.7090 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6773 -0.4778 -2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1483 -0.5940 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8283 -1.8252 -1.0950 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