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
    5.6394    0.8876   -1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    0.1781   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    0.2387   -0.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734   -0.3550    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748   -0.9605    1.4698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -0.2932    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629   -0.8540    1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540   -0.7624    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -1.2655    1.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -0.0867   -0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330    0.0249   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700    0.8161   -1.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079    0.7787    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -1.2960   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    0.1834   -1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    1.2906   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810    1.7171   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1265   -0.9182   -0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016    0.5551    0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    0.2333   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -1.3747    1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9526    1.5019   -1.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1419    0.1280   -2.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    1.4579   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8610    1.1060    1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    0.1317    1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704    1.7283    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160   -1.0708   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783   -1.9783   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9156   -1.7422    0.1593 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