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
5.6231 0.4107 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8615 -0.5043 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 -0.3258 -0.2957 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5084 -1.0009 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8392 -1.8506 -1.8491 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1100 -0.7059 -0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7398 0.1826 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 0.4640 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9895 1.3204 1.3446 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7004 -0.1736 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0697 0.0963 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8584 -0.8237 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4628 -0.1580 1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4188 1.5150 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 1.0602 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9028 1.0272 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1872 -0.2286 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1111 -0.1637 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1748 -1.5598 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 -1.2250 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5154 0.7055 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6888 -1.8635 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9168 -0.5137 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4598 -0.6252 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4375 -0.7109 1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6941 0.8266 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7225 -0.7149 2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3458 2.2262 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8060 1.8083 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4821 1.5053 -0.6434 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