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
   -2.7663   -0.4072   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444    0.5937    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    1.0244    0.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0784    0.1037    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388    0.4779   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -0.4613   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936   -0.0924   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332   -1.2082    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507    0.0853   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003   -0.9012   -0.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270    1.4617    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829    0.0760    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -0.9694    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892    1.5370   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115   -1.5161   -0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9053    0.9853   -0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147   -0.7890   -0.3128 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