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
    5.6730    0.2536   -1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9580    0.4759   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5684    0.2843   -0.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.4096    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    0.7061    1.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918    0.2151    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    0.3460    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860    0.1484    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053    0.2790    2.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -0.1769   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -0.3481   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119   -1.4554    0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6317    0.9699    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113   -0.7081   -1.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776    1.1671   -1.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7426   -0.0344   -1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2009   -0.6392   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1288    1.5394    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -0.2306    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641   -0.0329   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6669    0.5978    2.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4353   -1.9068    0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873   -2.2976    0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7902   -1.0975    1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983    0.8673    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8915    1.7538    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875    1.3117   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.3616   -1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484   -1.8078   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478   -0.2277   -2.4366 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