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
    5.4619    0.0707    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -1.1963    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -0.9196    0.2077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    0.0481   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.6211   -1.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    0.4074   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -0.1777   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566    0.2081   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342    1.0832   -1.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191   -0.3454    0.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1674    0.0341    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3715    1.5102    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117   -0.2774   -1.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039   -0.7219    1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2721   -0.2100    1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912    0.5152   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471    0.7964    1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9286   -2.0228    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1370   -1.5361   -0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3329    1.1677   -1.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.9246    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4471    1.6572    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9982    2.0966   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940    1.7230    1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    0.5619   -2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1993   -1.2200   -1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7217   -0.3446   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8991   -0.1132    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2764   -1.7243    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4156   -0.7670    2.0034 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