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
    5.5147    0.7249    0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620   -0.2940   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698   -0.1092   -0.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046   -0.9289   -0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -1.8064   -1.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -0.7252   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.2269    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513    0.4793    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    1.4025    0.9168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996   -0.2517   -0.5084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0880   -0.0322   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4886   -0.2220    1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7582   -1.0529   -1.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4900    1.3386   -0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770    0.3679    1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934    0.9852    1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    1.6568    0.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2501   -0.2541   -1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710   -1.2969    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041   -1.3423   -1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477    0.8742    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.9016    1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4714   -0.7260    1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    0.7666    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8533   -1.0949   -1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -0.7841   -2.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684   -2.0387   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4409    1.3028   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7078    1.6964   -1.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283    2.0391   -0.0571 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