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
    5.2904    0.3116   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -0.6686    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   -0.4591    0.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868   -0.6410   -0.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -0.9897   -1.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468   -0.4401   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.0796    0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168    0.1213    0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900    0.4754    2.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6316   -0.0560   -0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858    0.1430    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.5723    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7061   -0.0894   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6005   -0.7683    1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5086    1.0924   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -0.1748   -1.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1998    0.8846   -0.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688   -0.4664    1.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0767   -1.6927   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011   -0.5955   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575    0.0829    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    2.1853    0.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1620    1.6685    1.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056    1.8840    0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965   -1.1166   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936    0.6934   -1.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7799    0.0069   -1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861   -0.3132    2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2829   -1.8054    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7122   -0.7652    0.8970 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