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
    5.6484   -0.6293    0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2485    0.3506   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9320    0.8384   -0.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445   -0.0217   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006   -1.2306   -0.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635    0.4807   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.3398   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9367    0.1211   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    1.3645   -0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0145   -0.7372   -0.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078   -0.1657   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844   -1.2278   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4765    0.8515   -1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3381    0.5717    1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717   -1.6720    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1787   -0.4528    1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7440   -0.5521    0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2761   -0.1817   -1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9976    1.1496   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    1.5354   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158   -1.3860   -0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671   -2.1933    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2670   -0.8094    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7290   -1.4056   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376    0.8065   -1.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3992    0.6642   -1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4894    1.8937   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069    0.3695    1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2773    1.6852    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    0.3225    1.8859 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