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
5.7066 0.6391 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3075 0.3444 -0.0142 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8373 -0.9417 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6607 -1.8825 0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4229 -1.2637 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -0.2706 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1025 -0.5249 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3404 -1.6658 0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 0.5149 0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1113 0.6147 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9102 -0.0494 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8319 -1.5226 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4066 2.1288 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6223 0.3077 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2069 0.0262 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8439 1.6902 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1517 0.3098 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0577 -2.2678 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.7285 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6736 0.4192 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0122 0.2108 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9282 -2.0720 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9939 -1.8415 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7454 -1.8823 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2717 2.6221 0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 2.5485 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3625 2.2788 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7099 0.3002 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 -0.6322 1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 1.1328 2.1552 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