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
    5.6586   -0.4559   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7546   -0.8210    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158   -0.5054    0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    0.7845    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086    1.6935    0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    1.0661    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040    0.1218    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7872    0.4661   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135    1.6636   -0.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8123   -0.4647   -0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603   -0.1742   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318   -1.4913   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7494    0.7367    0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4579    0.4231   -1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6934    0.6352   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4799   -1.0573   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   -0.7215   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1624   -0.3644    1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303   -1.9184    0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    2.0961   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397   -0.8912    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4018   -2.1156    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9815   -1.2931    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445   -1.9989   -1.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8303    0.4873    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.8067    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.5388    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4277    0.0370   -2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824    1.5358   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    0.1806   -2.3773 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