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
6.3055 -0.3147 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9972 -0.1437 -0.7142 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9000 -0.1648 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0859 -0.3343 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5332 -0.0000 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5043 -0.0237 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1169 0.1445 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0977 0.3143 -1.2479 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9587 0.1230 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 0.2388 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0188 -0.7724 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6333 -0.9733 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9396 0.2313 2.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7070 1.6125 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2399 -1.1024 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0592 -0.4885 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5160 0.6350 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4007 0.1437 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6196 -0.1651 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9115 -1.7897 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 -0.6140 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5105 -1.5004 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7809 -1.6648 -1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5783 -0.0181 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9431 0.6411 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3044 0.9456 2.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8654 -0.7583 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2365 2.4225 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8032 1.6886 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5587 1.6872 -1.0371 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