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
5.6360 -1.1698 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8163 -0.0126 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4502 -0.2374 -0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 0.7015 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9267 1.7375 -1.2086 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 0.5250 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2318 1.4381 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1770 1.2635 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0589 2.0951 -0.8642 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6052 0.1098 0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9263 -0.2061 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 -0.2892 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 0.7868 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9177 -1.5984 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6195 -1.2550 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8616 -1.0377 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0181 -2.0925 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1869 0.9292 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9323 0.1345 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 -0.3758 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5802 2.3234 -1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2742 -0.7778 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6660 -0.9746 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2796 0.6683 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5543 1.7603 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7411 0.8279 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4922 0.4602 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9149 -1.8954 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4609 -2.2740 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2082 -1.5651 1.9206 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