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
6.2206 0.2527 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 0.8251 -0.7525 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8422 0.0217 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0551 -1.2364 -0.4667 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5012 0.5253 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5018 -0.2742 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 0.1992 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1633 1.4190 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 -0.6611 0.2504 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 -0.4869 0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0595 0.0947 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7676 1.4469 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8208 -1.9269 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5911 0.1442 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9202 0.8089 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2440 -0.8086 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5989 0.2959 -1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3162 1.5879 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6595 -1.3348 -0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1531 0.0771 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0255 -0.6084 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9859 1.5047 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7055 1.7619 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6758 2.2529 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8903 -2.3619 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1938 -2.4932 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8230 -1.7969 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 -0.2951 2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6022 -0.1609 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4220 1.2272 1.7867 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