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
    5.0986   -0.7584   -1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9220   -0.0030   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5318    0.0946    0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557    0.7101    1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.2236    1.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    0.7652    1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844    0.2315    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7606    0.2903    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.8614    1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6435   -0.2517   -0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0459   -0.1758   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7412   -0.8566   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956   -0.8704    1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241    1.2724   -0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9192   -0.0054   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172   -1.5215   -1.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290   -1.1468   -1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070    0.9843   -0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3696   -0.5671    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    1.2510    2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1358   -0.2498   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0203   -0.1290   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7136   -1.2709   -0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1171   -1.6345   -1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4096   -1.3234    1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474   -0.1500    1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -1.6427    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4576    1.3878   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318    1.5260    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800    1.9590   -0.6307 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