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
   -3.2178   -0.2110   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8369    0.3958   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.5396    0.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676   -0.1319    0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447   -0.3196   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    0.1164   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5216   -0.0492   -1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7308    0.0113   -1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7973    0.1250    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1213   -1.3027   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942    0.6715   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    1.3332    0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6438    0.3383    1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -0.7866   -1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8512    0.5896    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    0.2739   -1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -0.5144   -2.1016 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