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
   -2.5154    0.5272    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9858   -0.5221    1.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851   -1.0896    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   -0.4504    0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.5569   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.0771   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598    0.6275   -1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148    1.0343   -0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3066    0.1516   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879    1.3408    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -1.3675    1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -0.2035    2.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    0.1634    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925   -1.1883   -1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -0.4071   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    1.2501   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452    0.6133   -1.9315 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