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
   -3.2823    0.4724    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1097   -0.1943   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558    0.0208    0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3041   -0.4370    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    0.1867    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096   -0.3878    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    0.1944    0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.1732    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2484    0.1223   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1611    1.5736    0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.2390   -1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3514   -1.2705   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580   -1.3554   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408    1.0984    1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564   -1.3138   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845   -0.2306    0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    1.1087    0.9857 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