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
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
5.6565 0.3841 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2622 0.6021 0.8108 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5066 -0.4909 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9938 -1.6504 0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0906 -0.3363 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 -1.3596 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 -1.1486 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 -2.1426 -0.7734 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7018 0.0693 -0.3360 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0608 0.3666 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9026 -0.4182 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 -0.0601 1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4469 0.0686 -2.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2159 1.8682 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8334 -0.6878 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1899 0.6945 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9384 1.0488 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 0.6507 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7834 -2.3218 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 -1.4849 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9808 -0.1664 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2423 -0.9883 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4485 0.3224 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6901 0.6483 1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 0.0561 -2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1902 0.7796 -2.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8471 -0.9713 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 2.3874 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1632 1.9858 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3463 2.2947 0.2010 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