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
    5.5030   -0.1251    0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367   -0.6016   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -0.6349   -0.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    0.4981   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    1.5874   -0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2466    0.3980   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6245   -0.7601   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8287   -0.8228   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -1.9301   -0.4197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195    0.2690    0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0278    0.2357    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5292   -0.6690    1.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831   -0.0946   -1.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516    1.6677    0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6108   -0.2521    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3074    0.9402    0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1773   -0.7489    1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705   -1.6361   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    0.0368   -1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805    1.2926    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1939   -1.6542   -0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5961   -0.9324    0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5617   -0.1161    2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9706   -1.6040    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660    0.3541   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546   -1.1751   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6620    0.4291   -1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    2.0200    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5378    1.7039    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1946    2.3244   -0.4111 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