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
6.0679 -0.2497 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6534 -0.2115 -0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7917 -0.0862 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2806 -0.0039 1.7927 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3567 -0.0546 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8541 -0.1408 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4153 -0.1116 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0244 -0.1976 -2.2532 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 0.0100 -0.0736 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9122 0.0412 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6573 0.1835 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1447 0.2144 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2182 1.2576 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4412 -1.1721 -0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3339 -0.0274 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4963 0.4951 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4593 -1.2496 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7056 0.0438 1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5308 -0.2381 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 1.0804 1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4237 -0.6865 1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5835 -0.8033 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3272 0.6879 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6039 0.8254 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8312 1.0076 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 2.0600 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2814 1.7250 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8625 -1.8834 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3400 -0.8560 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 -1.6600 -1.6792 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