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
5.7406 -0.3882 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3017 0.7278 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9535 1.0602 0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.1800 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2344 -0.9979 -0.4052 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5105 0.5688 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5264 -0.2810 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 0.1448 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0908 1.3204 0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9376 -0.6776 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2781 -0.2810 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1319 -1.4887 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6408 0.1218 1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6622 0.8127 -1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8574 -0.0126 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0692 -1.2444 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7383 -0.7355 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5798 0.5345 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8904 1.6439 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3146 1.5888 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7905 -1.2880 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6595 -2.1140 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2715 -2.0806 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1285 -1.1120 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5061 0.8132 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9844 -0.7506 1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8363 0.6897 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8105 1.4725 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4904 1.3939 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 0.3791 -2.0144 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