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
   -3.2730    0.5231    0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -0.3425    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239    0.2346    0.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2983   -0.3904    0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4157    0.2994    0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627   -0.4131    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962    0.2589    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1997    0.8325    1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008   -0.0893    0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2717    1.3774   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295   -0.3621   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928   -1.3833    0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3374   -1.4622    0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685    1.3793    0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -1.5009    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    1.3191    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7133   -0.2805   -0.1429 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