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
    5.6051   -0.6085   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6445   -1.1771    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -0.7690    0.6851 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9080    0.5496    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977    1.4103    0.9421 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5129    0.9009    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -0.0414    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726    0.3419    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    1.5574    0.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718   -0.5797   -0.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047   -0.1861   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906    0.7295   -1.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158    0.4657    0.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9077   -1.4524   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    0.4562    0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5591   -1.1775   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -0.7563   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7476   -2.2748    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333   -0.7754    1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.9415    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -1.0616    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7423    0.3984   -2.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991    1.7999   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3845    0.6842   -1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4102    1.5197    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8189    0.4687    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364   -0.1473    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2456   -2.1524   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1743   -1.8662    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8301   -1.1969   -1.2355 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