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
   -2.1190   -2.0096   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454   -0.6983   -0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -0.4850   -0.7900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470    0.6773   -1.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    1.3055   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021    0.8140    0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163    1.4401    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772   -2.3950    0.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1551   -1.8704   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978   -2.7738   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8184   -0.7032   -2.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2522    0.1314   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522    1.0735   -2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7238    2.2072   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2475   -0.0924    1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    2.3364    1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048    1.0422    2.4366 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