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
    5.7733   -0.0887    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316   -0.3174   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5761   -0.1561    0.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813   -0.3150   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522   -0.5978   -1.9843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -0.1651   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813   -0.3282   -1.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347   -0.1782   -1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0318   -0.3245   -2.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    0.1328    0.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.2703    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262    0.6118    1.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6411    1.3123   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -1.0579    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1726   -0.3989    1.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0919    0.9832    1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6652   -0.7683    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1384   -1.3118   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2179    0.4675   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.0833    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181   -0.5697   -2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431   -0.3108    2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3378    1.0790    2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796    1.2981    1.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744    2.2555   -0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    0.9235   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023    1.5450    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8812   -1.8552    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781   -1.0312   -0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4805   -1.1874    0.8058 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