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
    5.3970   -0.8974    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    0.4766    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493    0.4746    0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    0.1653   -0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253   -0.1086   -1.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2504    0.1595   -0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -0.1447   -1.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9518   -0.1523   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.4342   -2.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532    0.1446    0.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392    0.1354    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6738    1.0981   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140    0.5541    1.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5605   -1.2276    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7109   -1.7000    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4159   -1.1328    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3938   -0.9394   -1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    1.2655   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    0.7139    1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    0.4006    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -0.3851   -2.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968    0.5440   -1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0258    1.8398   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4575    1.6570   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2728    0.9308    1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736    1.4484    2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9630   -0.2264    2.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377   -1.6295   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521   -1.9470    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6674   -1.0832    0.2671 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