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
   -2.3423   -0.0508    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715   -1.0726   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -1.7280   -0.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -1.0770    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615    0.0495   -0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0525    0.6994   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    1.2671    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876    0.8996    0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -0.4683    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3948    0.2153    0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026   -0.5523   -1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132   -1.7763   -0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147   -1.4196    0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570    0.3440   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623    1.6922   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    2.1417   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    0.8361    0.8959 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