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
   -3.1113    0.4836    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    0.6341   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -0.6330   -0.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748   -0.7880   -0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -0.3927   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -0.5589   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834   -0.1576    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5404    1.4014    0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262   -0.4122    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262    0.2529   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    0.9052    0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    1.4242   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -1.2286   -1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    0.0472    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218   -0.9973   -1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4421   -0.2662    0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.2859    1.4294 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