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
5.4948 -0.9384 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1831 0.3997 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9682 0.8731 0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8248 0.1172 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9112 -0.9771 1.2792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 0.5413 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 -0.2001 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 0.2034 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9115 1.2815 -0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9463 -0.6056 0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2213 -0.2197 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5622 1.1069 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2044 -0.2192 -1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2614 -1.2290 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2262 -1.7871 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9012 -1.0666 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5802 -1.0506 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9964 1.1038 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0608 0.3420 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 1.4659 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5144 -1.1336 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6954 1.8898 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4898 1.0533 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7690 1.4607 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9640 0.7594 -2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1547 -0.6183 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4051 -0.9201 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0536 -1.5657 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2360 -0.6790 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3790 -2.0506 -0.6495 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