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
    6.2607    0.0359    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091   -0.0703   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   -0.0038    0.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617   -0.0755   -0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751   -0.1984   -1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.0089    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383   -0.0741   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428   -0.0079    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9577    0.1157    1.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578   -0.0731   -0.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3610   -0.0001    0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446   -0.0939   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943    1.2846    0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5068   -1.1672    1.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376    1.1051    0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0073   -0.5841    1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2766   -0.1616    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929   -0.9714   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2711    0.8628   -1.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    0.0974    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707   -0.1795   -1.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4295   -0.3842   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456    0.9184   -1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -0.8092   -1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9129    1.2792    1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    1.4051    1.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171    2.1493    0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088   -1.6311    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1819   -1.9521    0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334   -0.8069    2.0743 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