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

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
    3.0818   -0.0902   -1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -0.2979    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980   -0.4667   -0.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628   -0.6755    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    0.2128   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -0.0039    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5129    0.9027    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8666    0.9066   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498   -0.8544   -1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866   -0.1900   -0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0001    0.5661    0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -1.2054    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4616   -1.5689    0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    1.1227   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6787   -0.9066    1.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4269    0.7562    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935    1.7923    0.0494 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