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
4.7096 0.1957 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9656 -0.3485 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5957 0.0178 0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 -0.9269 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 -2.1323 0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1544 -0.5404 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2211 0.7133 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6271 1.0410 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9947 2.2348 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5842 0.0515 -0.0319 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9739 0.2795 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6737 -0.2982 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6160 -0.2255 -1.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5728 0.1872 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7870 0.3031 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7178 -0.5047 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3974 1.2236 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 -1.4565 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5649 -1.3240 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5614 1.4770 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1248 1.3790 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0931 -1.1189 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7825 0.4844 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6885 -0.6683 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5183 0.5593 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1217 -1.1297 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6649 -0.4662 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0269 1.1765 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 0.3114 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3733 -0.4952 -1.5379 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