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
    2.7038    0.3197   -0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515   -0.1875    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844   -0.3310    0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3149   -0.7772    0.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767   -0.4744    0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    0.3108   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781    0.6000   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755    0.4048   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016   -0.3956   -1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2437    1.2942   -1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705    0.5139    1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -1.1969    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -1.3560    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748   -0.8281    1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.6465   -1.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925    1.1823   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005    0.2744    0.2352 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