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
Resources
cid=

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
    5.3679    0.7245    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   -0.3266    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483   -0.2050    1.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -0.3589    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.6117   -1.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944   -0.2326    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959   -0.3913   -0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575   -0.2804   -0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -0.4316   -2.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5961    0.0005    0.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018    0.1165    0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162    1.2025   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    0.3202    1.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715   -1.2323   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190    1.4830    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1308    0.3157   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275    1.2054   -0.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3243   -0.2388    2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761   -1.3055    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591   -0.0146    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -0.6107   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    1.6483   -1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9942    2.0218   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2099    0.7935   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    1.1869    2.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4786    0.4170    1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9969   -0.5730    2.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -2.0556    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722   -1.2605   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5877   -1.3065    0.2611 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