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
    2.5104   -1.0817    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441    0.1504    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -0.2765   -0.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    0.7021   -1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    0.8170   -0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -0.0644   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559    0.0613   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -2.0206    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915   -1.0066    0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.1576    2.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871    0.7678   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    0.7907    1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    1.3770   -1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    1.5995   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -0.8508    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8784   -0.6261    0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9401    0.8186   -0.5037 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