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
5.5113 -0.0823 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6941 1.0571 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3610 0.7074 -0.1649 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -0.3387 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9535 -0.9530 1.2447 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 -0.6704 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6559 -0.0139 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 -0.3326 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -1.2885 1.2104 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 0.3500 -0.1895 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1251 0.0657 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4786 -1.3518 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6376 0.3136 1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9272 0.9905 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2054 0.2892 -1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1471 -0.4914 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8820 -0.8525 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7066 1.8674 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1850 1.5068 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.4846 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8935 0.8050 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3919 -1.4674 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5711 -1.4753 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8933 -2.1158 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5188 -0.3160 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8804 1.4110 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 0.1076 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6671 2.0592 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0071 0.8793 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6828 0.8245 -2.0164 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