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
    5.4227    0.5512   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911   -0.1728   -1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710   -0.0364   -1.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   -0.5028   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663   -1.0564    0.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -0.3453    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148   -0.7873    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -0.6229    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815   -1.0360    2.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5598   -0.0102    0.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9401    0.1592    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -1.1261    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149    1.1425    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    0.8357   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8018    1.4425    0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4715    0.8560   -0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4274   -0.1030    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0708   -1.2487   -1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0885    0.3116   -2.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851    0.1339   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0615   -1.2720    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7168   -0.9214    0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392   -1.4330   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618   -1.9059    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5043    1.2856    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934    0.7761    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    2.0686    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    1.8971   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215    0.4055   -2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3597    0.7147   -1.5164 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