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
   -3.2611    0.4342    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.4550    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763   -0.6145    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219   -0.7099    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -0.3499   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -0.4480    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.0931   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896    0.7128   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6733   -0.5958    0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8767    1.1450    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3777    1.3950    0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.3974    1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.0724    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    0.0232   -1.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640   -0.8116    1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3990    0.2714   -1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -0.1388   -0.2420 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