Monomers

1-Ethoxy-buta-1,3-diene

Identifiers

IUPAC name
1-ethoxybuta-1,3-diene
InchI
InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3,5-6H,1,4H2,2H3
InchI Key
LDVKFLIDEBQMNX-UHFFFAOYSA-N
SMILES
CCOC=CC=C
Canonical SMILES
CCOC=CC=C
Isomeric SMILES
CCOC=CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.7226
H Bond Acceptors
1
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.7665    0.4356    0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -0.9545    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925   -0.9676   -0.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369   -0.1628    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -0.2908   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    0.5667    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6235    0.4002   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    1.1381    0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512    0.4717    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229    0.6824   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547   -1.1747    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048   -1.6942   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.5874    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -1.0413   -0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3027    1.3177    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7531   -0.3471   -1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4516    1.0333   -0.1359 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  3
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers