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
5.5395 -0.7122 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2123 -0.4055 0.6547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9442 0.5677 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8997 1.1994 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5734 0.8344 -0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 0.1528 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2305 0.4387 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0174 1.3297 -1.3596 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 -0.2719 0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1417 0.0990 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 -0.7165 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2098 -0.5419 1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 1.5792 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2118 -0.2055 -1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9274 0.0893 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5671 -1.6987 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1739 -0.7860 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 1.5977 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 -0.6046 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1242 -1.7728 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1881 -0.3489 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.4577 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 -1.4336 2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7830 0.3572 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1072 2.2192 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4424 1.7611 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 1.8242 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4057 -0.9240 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1791 -0.6971 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0928 0.7351 -2.4458 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