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
5.9230 -0.2571 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5219 -0.0500 -0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9521 1.2227 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7567 2.1871 -0.2315 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5222 1.4116 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 0.3894 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2590 0.5434 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2547 1.6858 -0.2826 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5415 -0.5676 -0.1677 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9501 -0.5567 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5068 0.2034 0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0186 0.2290 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3876 -2.0158 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -0.0839 -1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0898 -1.1665 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2303 -0.5096 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4737 0.5934 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1353 2.4201 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1148 -0.6065 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1931 -0.2138 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1809 1.2548 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3758 0.9844 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3171 0.5806 2.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4646 -0.7660 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1493 -2.2683 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7169 -2.5989 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4468 -2.1455 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3722 0.5154 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 0.5319 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6666 -0.9466 -2.1870 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