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
    5.5386   -0.0778   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083    0.6499   -1.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3346    0.6569   -1.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992   -0.4922   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714   -1.5927   -1.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768   -0.4519   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605    0.6814   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.7306    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363    1.8410    0.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6251   -0.3942    0.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -0.3012    0.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0557    0.4340    1.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7996    0.4831   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -1.6541    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9918   -0.9721   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3596    0.5291    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8868   -0.3750    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609    1.7101   -1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    0.2466   -2.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413   -1.3703   -0.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    1.6114   -0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -0.0101    2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646    1.5292    1.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.1661    2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6181    0.1439   -1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8730    0.2421   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081    1.5791   -0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -2.3913    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9532   -1.9795   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4596   -1.6134    1.4522 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