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
4.0539 -0.7594 -1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0790 -0.0670 -0.9512 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4611 0.9293 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7305 1.1899 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6086 1.7237 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 1.6470 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4120 0.7767 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6999 -0.1064 -0.7057 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 0.8662 0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 0.0433 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7250 -1.4208 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8485 -1.6356 1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8614 0.3511 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3155 0.4060 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2541 -1.7190 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6082 -1.0047 -2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9378 -0.1298 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1034 2.5201 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8681 2.3839 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7881 -1.8506 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5784 -1.9675 -0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4853 -2.6423 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -0.8921 2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 -1.4596 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0759 -0.2771 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 1.4232 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8539 0.2108 -2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6391 1.3098 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9958 -0.4167 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 0.5677 1.2714 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