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
   -2.6217    0.7105    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1832   -0.4386   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -1.1100    0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -0.3677    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2322   -0.6215   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    0.2081    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420   -0.0495   -0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191    0.4200    1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    1.3584    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    1.3144    0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -0.0229   -1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0163   -1.1486   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    0.4781    1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819   -1.4491   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    1.0488    0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018    0.5533   -0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5977   -0.8837   -1.2709 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