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
    5.7406   -0.3882    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    0.7278    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535    1.0602    0.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.1800   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -0.9979   -0.4052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105    0.5688    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264   -0.2810   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579    0.1448   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908    1.3204    0.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376   -0.6776   -0.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781   -0.2810   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319   -1.4887   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408    0.1218    1.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6622    0.8127   -1.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8574   -0.0126    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0692   -1.2444    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7383   -0.7355    0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    0.5345   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8904    1.6439    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146    1.5888    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905   -1.2880   -0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6595   -2.1140   -1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2715   -2.0806    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1285   -1.1120   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    0.8132    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9844   -0.7506    1.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8363    0.6897    1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    1.4725   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4904    1.3939   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1342    0.3791   -2.0144 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