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
   -2.6589    0.7579    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2864   -0.5084   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536   -0.5028   -1.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0851   -0.4049   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294   -0.1878   -0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397   -0.0813    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6668    0.1342    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556    0.5451    0.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8364    1.0045    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846    1.5938   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -1.3579    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9652   -0.6696   -1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123   -0.5075    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -0.0877   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370   -0.1848    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881    0.2121    0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232    0.2451   -1.0401 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