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
5.8203 -0.5039 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4147 -0.6307 0.2166 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5554 0.2959 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0773 1.2896 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1155 0.1664 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 -0.8570 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 -0.9627 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 -1.9409 0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7690 -0.0065 -0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 0.0095 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7137 0.0192 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 1.2349 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7508 -1.1782 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6403 1.2482 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1435 -0.0349 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2462 -1.5279 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1898 0.1059 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 0.9276 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -1.6289 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 -0.8733 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8292 0.0825 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8837 1.3156 2.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2213 1.0856 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3585 2.1082 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 -1.4699 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7625 -0.8712 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9191 -2.0335 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 2.0855 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6545 1.4686 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6610 1.0760 -2.2367 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