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
5.6586 -0.4559 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7546 -0.8210 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4158 -0.5054 0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9411 0.7845 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 1.6935 0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 1.0661 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6040 0.1218 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7872 0.4661 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 1.6636 -0.2629 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8123 -0.4647 -0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1603 -0.1742 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9318 -1.4913 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7494 0.7367 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4579 0.4231 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6934 0.6352 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4799 -1.0573 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7030 -0.7215 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1624 -0.3644 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8303 -1.9184 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2485 2.0961 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 -0.8912 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4018 -2.1156 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9815 -1.2931 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8445 -1.9989 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8303 0.4873 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7125 1.8067 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 0.5388 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4277 0.0370 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5824 1.5358 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6883 0.1806 -2.3773 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