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
   -2.6947    1.2146   -1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485    0.4330   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8549    1.1232    0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994    0.6449    0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725   -0.3437    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -0.8480    1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309   -1.8348    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826    0.7317   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2842    1.3416   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    2.1932   -1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4876   -1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6027   -0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543    1.1024    1.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855   -0.7757   -0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827   -0.4023    1.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392   -2.2137    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352   -2.2514   -0.4663 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