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
    5.6692    0.5179    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571   -0.7501    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892   -0.3438    0.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -1.2255    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7296   -2.4444   -0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -0.7947    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930    0.4632    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    0.8310    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651    2.0217    0.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6683   -0.1312   -0.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0332    0.1323   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    1.0367   -1.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4772    0.7115    1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7602   -1.1915   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5199    0.8800    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7495    0.3435    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2522    1.2785   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0523   -1.4262    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513   -1.2900   -0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877   -1.5537   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    1.2128    0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1776    2.0821   -1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5632    0.9948   -1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792    0.5918   -2.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5672    0.6024    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546    1.7726    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9436    0.1587    1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734   -1.8357    0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8205   -0.9589   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729   -1.6858   -1.2251 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