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
    5.6360   -1.1698   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -0.0126   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502   -0.2374   -0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.7015   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    1.7375   -1.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0810    0.5250   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    1.4381   -0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1770    1.2635   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0589    2.0951   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.1098    0.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263   -0.2061    0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -0.2892   -0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4822    0.7868    1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9177   -1.5984    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6195   -1.2550   -0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8616   -1.0377    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -2.0925   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1869    0.9292   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9323    0.1345   -1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -0.3758    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802    2.3234   -1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2742   -0.7778   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6660   -0.9746   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2796    0.6683   -1.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5543    1.7603    0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    0.8279    2.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922    0.4602    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9149   -1.8954    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4609   -2.2740    0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2082   -1.5651    1.9206 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