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
5.6642 0.7717 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2823 0.4194 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9102 -0.8713 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8085 -1.6796 0.5765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -1.2724 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5557 -0.4175 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1489 -0.7923 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -1.9647 0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8184 0.1133 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 -0.1431 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7687 -0.5684 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5768 0.4958 1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8804 1.1533 -0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5561 -1.1718 -1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9457 1.1950 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8084 1.5174 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2477 -0.1504 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 -2.2854 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 0.5897 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3051 -1.4992 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8509 -0.7881 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6147 0.2807 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4437 0.3784 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6210 1.4876 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 1.1777 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 1.9961 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8903 1.2401 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -1.0764 -2.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 -2.2143 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6345 -1.0427 -1.7758 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