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
   -3.1972    0.1289    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.2034   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -0.2057    1.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090   -0.4949    1.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    0.1755    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -0.1569    0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798    0.5023   -0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276   -0.6418    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3455    1.1270    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6488    0.0954   -0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    0.5722   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -1.2189   -0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -1.3109    1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644    1.0031   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9217   -0.9797    0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.2850   -0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1171    1.3228   -0.9618 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