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
    5.4421   -0.3243    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7472    0.6348   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445    0.6869   -0.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390   -0.4305   -0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879   -1.5157   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211   -0.3146   -0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221    0.8456   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960    0.9592    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    2.0205    0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896   -0.1647   -0.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9597   -0.1929    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6302    0.7624   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586    0.1698    1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323   -1.6260   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9146   -0.3101    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050   -0.0151    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4874   -1.3281   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8389    0.2184   -1.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805    1.6548   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -1.1904   -0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    1.7363   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8543    1.3760   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    0.1509   -1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3992    1.3881   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4114    1.2541    1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885   -0.2229    1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -0.3133    2.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535   -2.2067    0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7198   -2.1458   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897   -1.5566   -0.5986 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