Monomers
Fumaric acid 1-methyl 4-tert-pentyl ester
Identifiers
IUPAC name
1-O-methyl 4-O-(2-methylbutan-2-yl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-10(2,3)14-9(12)7-6-8(11)13-4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
ZUXMGIMZRCLDCZ-VOTSOKGWSA-N
SMILES
COC(=O)/C=C/C(=O)OC(CC)(C)C
Canonical SMILES
CCC(C)(C)OC(=O)C=CC(=O)OC
Isomeric SMILES
CCC(C)(C)OC(=O)/C=C/C(=O)OC
Resources
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
1.4474
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
6.0371 -0.5190 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6632 -0.2675 0.7101 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7621 -0.9367 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2052 -1.8442 -0.8297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 -0.6479 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7906 0.2957 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 0.5790 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 1.4681 1.3253 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 -0.1110 -0.2046 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 0.1356 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6112 -0.0531 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0802 0.2484 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4853 -0.8499 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1816 1.5686 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4194 -1.1204 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3814 -0.9906 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5521 0.4828 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7023 -1.2228 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4302 0.8648 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2657 0.5932 1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5384 -1.1347 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6896 -0.6995 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2548 0.8831 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5161 0.8177 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7074 -1.8077 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3675 -0.4404 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 -1.0732 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5476 2.1972 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 1.5943 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2113 1.9898 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
10 13 1 0
10 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
5 18 1 0
6 19 1 0
11 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