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
5.1617 -0.1324 -2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9988 -0.0762 -2.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9546 0.7391 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9903 1.4081 -0.6662 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7573 0.8198 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7042 0.1001 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4857 0.1783 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4832 0.9262 1.3788 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6465 -0.5274 0.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8520 -0.5405 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4200 0.8315 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7381 0.9574 1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7211 -1.0402 2.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8748 -1.4573 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1175 -1.0562 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3136 0.7514 -3.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0284 -0.2189 -2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7749 1.4684 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.5335 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5914 1.1374 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7340 1.5291 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1483 1.9663 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4834 0.2225 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5998 1.0296 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4217 -0.1911 2.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7290 -1.3790 2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0541 -1.9165 2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6018 -1.8459 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 -2.2692 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4909 -0.8808 -0.5939 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