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
5.7143 -0.5392 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2464 0.8512 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9244 0.8724 0.6995 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8284 0.4772 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0423 0.0700 -1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4607 0.5063 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 0.1055 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9184 0.1133 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2330 0.5004 1.2198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 -0.3089 -0.7697 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2514 -0.2917 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4752 -1.1590 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1055 -0.7815 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6463 1.1346 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2124 -0.7949 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4950 -1.2819 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8037 -0.4535 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4143 1.4942 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8865 1.2750 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 0.8515 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 -0.2390 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1313 -0.6393 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 -1.4353 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9597 -2.1161 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7146 0.0794 -1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4977 -1.1206 -2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7478 -1.6346 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7534 1.8111 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1167 1.1735 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4046 1.4800 -0.6861 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