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
    5.4912   -2.4182    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0311   -2.1661    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084   -1.0347   -0.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2598   -0.5975   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -1.2758    0.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.5495   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    1.1149   -1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    0.7494   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -0.1970    0.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058    1.5098   -0.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8970    1.1939    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9366    2.2067   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7955    1.2499    1.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980   -0.1920   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   -1.4643   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5251   -2.9110   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843   -3.0717    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4551   -3.0482   -0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576   -1.9925    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    1.0178   -1.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    2.0126   -1.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9263    2.3755   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    3.1859    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9131    1.8819    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812    1.5667    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    2.0365    1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5732    0.2706    2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8959   -0.9698    0.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4959   -0.2118   -0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222   -0.3801   -1.3707 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