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
    5.4425   -0.3132   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7626   -0.8640    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -0.8801    0.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    0.2821    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857    1.3897    0.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247    0.2673    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085    1.3463    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390    1.2756   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441    2.2834   -0.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    0.0679   -0.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9654   -0.1215   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020   -1.6151    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    0.2451   -1.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7492    0.5738    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0245   -0.8586   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -0.5619   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    0.7741   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0327   -0.2380    1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891   -1.9033    0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7026   -0.6994    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523    2.2940   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -2.1837   -0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2297   -1.8582   -0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -1.8260    1.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6509    1.3264   -1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.0919   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4424   -0.3039   -1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6597    1.0089    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630    1.3339    1.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1157   -0.1500    1.7093 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