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
    5.4922    0.5912    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7386   -0.7004    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913   -0.4565    0.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    0.2122   -0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8468    0.6404   -1.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5487    0.3829   -1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555   -0.0728   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548    0.1217   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320    0.7321   -1.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7569   -0.3335    0.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242   -0.1585   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8606   -0.8029    1.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6077   -0.8382   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    1.2940   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713    0.7922    1.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4885    0.5224    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    1.4101    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -1.3655   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7172   -1.2964    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    0.9063   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565   -0.5956    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -1.6850    1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8639   -1.1621    0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044   -0.1260    2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -1.3385   -1.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3563   -1.6043   -1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9612   -0.1037   -2.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4876    1.4440    0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7098    1.6064   -1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7469    1.9837    0.2803 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