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
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
5.9477 0.9023 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6066 0.4436 0.0797 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5207 1.2943 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7840 2.5099 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1462 0.8282 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8981 -0.4399 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5302 -0.9598 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 -2.1574 -0.2355 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5037 -0.0756 0.1139 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -0.4382 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6474 0.8468 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1293 0.5697 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2722 -1.1478 -1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 -1.3220 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2591 1.3832 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5865 -0.0112 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0824 1.5729 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3457 1.5257 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6986 -1.1377 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3872 1.1998 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3358 1.6228 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5299 0.8585 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3555 -0.5154 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6578 1.2046 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 -0.9502 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2657 -0.7192 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 -2.2072 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 -0.7276 2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 -1.8304 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 -2.1227 0.9640 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