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
    2.8403    0.6080    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -0.7284   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722   -0.6393   -0.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1367   -0.2011    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3903   -0.2326   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    0.2288    0.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7420    0.1808    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028    1.0335    1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909    1.3354   -0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977    0.4112    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642   -1.0810   -1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754   -1.4170    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    0.1913    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295   -0.6216   -1.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    0.6159    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5409    0.5207    0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667   -0.2046   -0.6142 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