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
    5.6166   -0.4686   -1.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3237   -0.7536   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775   -1.0798    0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163   -0.2475   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874    0.8872   -0.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.6239    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5556    0.1992   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8428   -0.1247    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907   -1.2454    0.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813    0.7356   -0.1163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299    0.4812    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596   -0.7136   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132    0.3351    1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0090    1.6959   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7170   -0.3121   -1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -1.3203   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349    0.4863   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082    0.1504    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588   -1.5889    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3371   -1.5909    0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    1.1623   -0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270   -0.5158   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100   -1.6335   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8089   -0.8655   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7140    0.2131    1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2588    1.2329    2.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.5298    1.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8761    1.9263    0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3361    2.5906   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037    1.5180   -1.4477 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