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

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
    3.2197    0.0397   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707   -0.1698    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    0.8111   -0.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225    0.8388    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    0.0542   -0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169    0.1242    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5799   -0.6463   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    1.0983   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780   -0.6193   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0592   -0.1129   -1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4439   -1.1608   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644   -0.0391    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412    1.5314    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514   -0.6501   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8429    0.8188    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3486   -1.3418   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5543   -0.5763    0.1868 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