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
4.5311 -1.3103 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9565 0.0824 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5506 -0.0212 -0.0374 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6217 0.3647 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0301 0.8270 -2.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 0.2643 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 0.6457 -1.6532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 0.5347 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 0.8852 -2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 0.0308 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9426 -0.1085 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2054 0.7898 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3203 -1.5059 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6246 0.9542 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7685 -2.0058 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4497 -1.2922 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 -1.6635 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1461 0.5100 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -0.1265 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 1.0493 -2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5459 0.2516 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5257 1.6691 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8805 0.2264 2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2669 1.0698 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4781 -2.0800 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7972 -2.0578 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1042 -1.4750 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5907 0.5044 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7568 1.9767 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9675 1.0104 1.6780 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