Monomers
Tert-butyl ethyl fumarate
Identifiers
IUPAC name
4-O-tert-butyl 1-O-ethyl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-13-8(11)6-7-9(12)14-10(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
CZFQVAZEWFKUTC-VOTSOKGWSA-N
SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
Canonical SMILES
CCOC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
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
5.5892 0.0041 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1846 -0.9389 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8730 -1.3719 -0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 -0.4410 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1445 0.7667 -0.8068 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4639 -0.8075 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5262 0.1063 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 -0.2758 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2208 -1.4639 0.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8197 0.6901 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1805 0.4533 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4286 -0.2243 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8700 -0.2714 -0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8396 1.8364 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7574 0.1636 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4369 -0.4354 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8904 1.0061 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2299 -0.3391 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9133 -1.7458 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2042 -1.8543 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 1.1351 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0313 -1.2524 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5320 -0.2803 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9682 0.3914 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4105 -0.1084 -1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9554 -1.3488 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9322 0.0964 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3775 2.5170 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9333 1.7722 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5072 2.2207 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
6 20 1 0
7 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