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
   -3.0964    0.3516    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314    0.3546    0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1332   -0.9396   -0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -1.1790   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838   -0.2690   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.4695   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4050    0.4532   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    1.3937    0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355   -0.3493   -0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311    0.0636    1.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700    0.9969   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.7297    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727   -2.1212   -0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    0.6736    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589   -1.4066   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0858    1.3873    0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4508    0.3301   -0.4803 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