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
5.9414 0.1396 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5321 0.1730 -0.4481 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7636 -0.1162 0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3393 -0.4243 1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3189 -0.0555 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7511 0.2745 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3021 0.3306 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3059 0.6367 -1.7378 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4525 0.0400 0.4284 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8627 0.0589 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 -0.9007 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9891 -0.7941 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -0.3943 1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 1.4343 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2757 -0.3188 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3384 1.1874 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 -0.4674 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6770 -0.2822 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3936 0.4949 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 -1.9326 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1516 -0.7822 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3841 -0.5089 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3184 -0.0359 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4762 -1.7673 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9141 -1.4416 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5658 0.2027 2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2930 -0.2160 2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1712 1.6975 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6503 2.2295 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0001 1.5384 -0.6676 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