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
    5.5695    0.3890   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855   -0.8639    0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630   -0.7276    1.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8466   -0.5461    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403   -0.5107   -0.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -0.3982    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5311   -0.2284   -0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499   -0.0822    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684   -0.1133    1.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238    0.0953   -0.7725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962    0.2495   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    1.4592    0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9107    0.4820   -1.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8027   -0.9702    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5713    0.7582    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8314    1.1887    0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128    0.2164   -1.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.9947    1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -1.7435   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491   -0.4350    1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -0.2013   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4687    1.7526    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    1.2554    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8087    2.3071   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    0.9817   -2.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8095    1.1134   -1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.5053   -2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8638   -1.0744   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -0.9720    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2757   -1.8816   -0.2271 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