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
5.6451 0.8828 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2806 0.6463 -0.7001 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9438 -0.3168 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8533 -0.9807 0.7854 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5409 -0.5580 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6262 0.1568 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2143 -0.1348 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0374 -1.0258 1.0724 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8319 0.5055 -0.3129 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1825 0.4605 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7896 -0.8154 -0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4330 -2.0796 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7045 0.7189 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8516 1.5774 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6718 1.5424 -1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1008 -0.1034 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1535 1.3412 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3015 -1.3269 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8895 0.9077 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4652 -0.9492 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9189 -0.7251 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -2.0527 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5276 -2.5789 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2929 -2.8030 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4571 -0.1424 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8119 0.7333 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3428 1.6832 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7366 1.3551 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4418 2.5440 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9267 1.5375 -0.7200 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