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
5.6184 -1.2532 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2519 -0.8930 0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8996 0.4275 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8219 1.2576 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5004 0.7945 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5849 -0.1018 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1634 0.3271 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 1.5302 0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8490 -0.5406 -0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 -0.3460 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7728 0.4952 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3763 1.9057 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7788 -1.7865 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7694 0.0647 1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6788 -2.2591 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2333 -0.5122 -0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9738 -1.2798 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 1.8198 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 -1.1280 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9144 0.4874 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5662 0.0077 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1662 2.3715 -2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.0469 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4590 2.5467 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5165 -2.1749 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 -2.3770 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8441 -1.7852 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6250 1.1310 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8517 -0.1704 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2955 -0.6060 2.0160 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