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
    5.9728    0.2369   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5234    0.2118   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    0.0941    0.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    0.0514    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    0.1256   -0.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325   -0.0691    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525   -0.1248    1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8183   -0.0838    0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164    0.0182   -0.5764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945   -0.1612    0.9276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1247   -0.1192   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100    1.1767   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5412   -0.2362    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490   -1.3121   -1.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1441    1.2629    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6288    0.1992   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1718   -0.5650    0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3027   -0.5962   -1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3067    1.2053   -0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -0.1208    2.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.2200    2.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046    1.5568   -1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.9358   -1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959    1.9742   -0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8496   -1.2485    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7838    0.4517    1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1933    0.0673   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -2.0924   -0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -1.6950   -1.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215   -0.9237   -1.8664 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