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
    5.5828    0.2360    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -1.0311    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049   -0.7696    0.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779   -0.1285   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8583    0.2331   -1.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5868    0.1438   -0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -0.1940   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7832    0.1065   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.7057   -1.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611   -0.2282    0.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1965    0.0782   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3800    1.5802   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5511   -0.6642   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1321   -0.3610    0.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4029    0.1089    1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492    0.4741   -0.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327    1.0767    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2496   -1.6848    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7877   -1.5725    1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    0.6580   -1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -0.6991    0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    2.0847    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4486    1.8556   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885    1.8695   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1568   -1.5725   -1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6420   -0.9646   -1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -0.0101   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8231   -1.3151    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    0.4392    1.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1630   -0.4548    0.5476 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