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
5.7665 0.1830 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3715 0.2954 0.2419 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4940 -0.3549 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9709 -1.0723 -1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0533 -0.1880 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 0.5805 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1418 0.7255 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3166 1.4576 1.5576 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7248 0.0494 -0.2389 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 0.2649 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9661 -0.4844 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 -1.9638 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3540 1.7479 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4079 -0.2349 1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1463 1.0623 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0357 -0.7118 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2081 0.1887 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3611 -0.6874 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2074 1.1149 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0247 -0.2834 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8177 -0.0564 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8447 -2.2682 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6159 -2.2395 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6633 -2.4544 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8406 2.1652 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4318 2.3242 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0118 1.9394 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 -0.9342 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4562 0.6389 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3627 -0.8042 1.4209 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