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
    5.3689   -0.2700   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543   -1.3396    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608   -1.3205    0.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704   -0.1528    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181    0.8334    1.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353   -0.0717    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809    1.0406    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.1252    0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182    2.1718    0.7549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    0.0466    0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    0.0447   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2908    1.1033   -1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104    0.3302    1.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571   -1.3286   -0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7577    0.5625    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2115   -0.6799   -0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232    0.1345   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1967   -2.3340    0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -1.0506    1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234   -0.9440    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214    1.9004    1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    2.0820   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2489    0.8055   -1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4638    1.1159   -1.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9696    1.4122    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396   -0.1819    1.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180   -0.1041    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6935   -2.0579   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227   -1.3309   -1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4212   -1.5425   -0.5849 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