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
   -3.1807    0.0312   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412   -0.0149    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9175   -0.8105   -0.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -0.9303   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    0.0181   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.1434    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008    0.8077    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9273    0.3145    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2488    0.8244   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -0.9554   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050    0.9749    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9901   -0.5851    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169   -1.8543    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.9380   -0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647   -1.0681    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    1.7537   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839    0.6995    0.7429 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