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
    5.7143   -0.5392   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2464    0.8512    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9244    0.8724    0.6995 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    0.4772   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    0.0700   -1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    0.5063    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    0.1055   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9184    0.1133    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    0.5004    1.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098   -0.3089   -0.7697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514   -0.2917   -0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4752   -1.1590    0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1055   -0.7815   -1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463    1.1346    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2124   -0.7949   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950   -1.2819    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8037   -0.4535   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143    1.4942   -0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8865    1.2750    1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    0.8515    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -0.2390   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -0.6393    1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272   -1.4353    1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9597   -2.1161    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7146    0.0794   -1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977   -1.1206   -2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -1.6346   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7534    1.8111   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1167    1.1735    1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046    1.4800   -0.6861 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