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
5.6849 0.5574 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8586 -0.7001 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4942 -0.3079 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4562 -1.2138 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7595 -2.4318 0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0736 -0.8168 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 0.4564 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7251 0.8045 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1163 1.9927 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7030 -0.1742 -0.0619 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0600 0.1268 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8013 -1.2142 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4567 0.8449 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 0.9101 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7568 0.2671 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4445 1.2439 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4697 1.0694 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0941 -1.3070 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0901 -1.1946 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2972 -1.5936 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 1.1990 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1903 -2.0220 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7532 -1.1825 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9641 -1.5205 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5359 1.1484 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1225 1.7093 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9665 0.0996 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3891 2.0016 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8769 0.5888 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5298 0.6593 -1.5379 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