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
5.5155 -0.1263 -1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2185 -0.1519 -1.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8378 -1.0308 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6930 -1.8390 0.3606 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5001 -1.0320 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5779 -0.1810 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -0.2177 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -1.0385 1.5871 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7673 0.6378 0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 0.6907 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8506 -0.5707 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0262 -1.0118 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 1.0634 2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7856 1.8259 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2070 -0.8136 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8970 0.9086 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5299 -0.3731 -2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2520 -1.7416 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8372 0.5153 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4291 -1.3677 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8743 -0.3698 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0073 -0.6594 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1231 -2.1367 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2024 -0.6780 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1296 1.0078 2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 0.3505 2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 2.0903 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8148 1.5461 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8060 1.9651 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1512 2.7382 0.1404 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