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
    4.6037    1.1756   -0.9785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -0.0369   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8769   -0.0684    0.9761 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681   -0.1072    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.1089   -0.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -0.1384    1.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740   -0.1751    1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5908   -0.1939    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968   -0.1769   -0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9814   -0.2343    0.9301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8857   -0.2545   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -1.4286   -1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859   -0.3162    0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312    1.0433   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4630    0.8715   -2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    1.7080   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4506    1.9007   -0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7985   -0.9680   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996    0.0672    0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093   -0.1280    2.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -0.1930    2.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -1.1598   -1.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856   -1.7022   -1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3386   -2.3365   -0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651    0.0634    1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5865   -1.3831    0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9795    0.3197   -0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541    1.7666   -0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8059    1.4150   -0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    0.7788   -1.9708 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