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
   -2.7110    0.0849   -1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8872    0.1139    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.5791   -0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -0.5868    1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503   -0.3034    1.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049    0.0357   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765    0.3219   -0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -0.0503   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188   -0.6680   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    1.0772   -1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321    1.1452    0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -0.3806    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2588   -0.8313    2.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -0.3109    1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.0479   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8197    0.5670   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075    0.3165    0.5145 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