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
    5.6231    0.4107    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615   -0.5043   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4711   -0.3258   -0.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084   -1.0009   -0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8392   -1.8506   -1.8491 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100   -0.7059   -0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    0.1826    0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610    0.4640    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895    1.3204    1.3446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -0.1736   -0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0697    0.0963    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8584   -0.8237   -0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628   -0.1580    1.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188    1.5150   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.0602   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9028    1.0272    1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1872   -0.2286    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111   -0.1637   -1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1748   -1.5598   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -1.2250   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5154    0.7055    0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888   -1.8635   -0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9168   -0.5137   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598   -0.6252   -1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375   -0.7109    1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6941    0.8266    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225   -0.7149    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.2262    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    1.8083   -1.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4821    1.5053   -0.6434 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