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
5.7872 0.1770 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 0.1514 0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7491 1.1458 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4570 2.0262 -1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2957 1.1587 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6065 0.2259 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 0.2626 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 1.1678 -0.9486 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -0.6578 0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0041 -0.7959 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9549 0.1537 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0039 1.5526 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 -1.0098 -1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2956 -2.1602 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2611 0.5508 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1513 0.6913 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 -0.8929 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 1.9466 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -0.5764 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9918 -0.2655 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9860 0.1566 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0535 1.6051 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0182 1.9928 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2132 2.2024 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1702 -0.1406 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9419 -1.9351 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5344 -1.2290 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4296 -2.0136 2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4259 -2.8374 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 -2.6531 0.4839 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