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
    5.4534    0.4740   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.6016    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4035    0.3741    0.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368   -0.8088   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -1.7178   -0.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -1.0533   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903   -0.1595    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -0.4266   -0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314   -1.5123   -0.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811    0.5245    0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1512    0.2583   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241    1.4857    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.9601    0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4419   -0.0131   -1.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7079   -0.5808   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    1.0367   -0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703    0.8462   -1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.6216    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2327   -0.1381    1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728   -2.0065   -0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860    0.7846    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9969    1.4002    0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6657    1.6703    1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4971    2.3453   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.2483    1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382   -1.8460    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117   -0.7130    1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063    0.2610   -1.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437    0.6057   -2.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3800   -1.1055   -1.8738 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