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
   -3.2923   -0.0051    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -0.5143    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520   -0.0958   -0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -0.4955   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.3979   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6822   -0.0281    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137    0.8644    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100   -0.3419   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9649   -0.4735    0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051    1.0928    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -1.6217    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -0.0789    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770   -1.5326   -0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0955    1.4657   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -1.0948    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864    1.9086    0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464    0.5527    0.4015 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