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
    5.5113   -0.0823   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6941    1.0571   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3610    0.7074   -0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198   -0.3387    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535   -0.9530    1.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -0.6704    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559   -0.0139    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7548   -0.3326    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383   -1.2885    1.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7654    0.3500   -0.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251    0.0657   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4786   -1.3518   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6376    0.3136    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272    0.9905   -0.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2054    0.2892   -1.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -0.4914   -0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820   -0.8525   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    1.8674   -1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850    1.5068    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -1.4846    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8935    0.8050   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919   -1.4674   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5711   -1.4753   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -2.1158    0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188   -0.3160    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    1.4110    1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8766    0.1076    2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    2.0592   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0071    0.8793   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828    0.8245   -2.0164 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