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
    5.6658    0.4851    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2703   -0.6150   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665   -1.0764   -0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -0.2074   -0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1536    0.9948   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -0.6745   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036    0.1729   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.2957   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435   -1.4706    0.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.5873   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2574    0.2417   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796   -0.2905    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7394   -0.7012   -1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304    1.5392   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2085    0.3026    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772    0.3932    0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112    1.4846    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9638   -1.4778   -0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3940   -0.2498   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -1.7151    0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107    1.1831   -0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4959   -0.9152    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8194    0.5006    2.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -0.9240    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8959   -1.0389   -1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933   -0.2279   -1.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2573   -1.5616   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1256    1.3737   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.2440    0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577    1.9389   -1.1809 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