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
5.7822 -0.6474 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4108 -0.3994 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4481 -0.5157 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8364 -0.8518 -2.0141 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -0.2577 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 0.0902 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 0.3660 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0194 0.6924 2.1300 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7541 0.2827 0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1080 0.5402 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8900 0.3286 -0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7386 -1.0871 -1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6708 -0.4346 1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 1.9669 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3179 -0.8489 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2308 0.2707 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8808 -1.5346 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3348 -0.3540 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4368 0.1776 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9609 0.5510 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 1.0651 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4009 -1.0473 -2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9795 -1.6650 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7070 -1.6411 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5632 0.0436 2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7685 -0.5819 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2087 -1.4196 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0201 2.0659 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4026 2.2458 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6472 2.5992 0.1743 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