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
   -2.0694    1.0375    1.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3859   -0.0934    0.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -0.2355    1.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   -1.2713    0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491   -1.0805   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3609    0.2522   -0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    0.4472   -2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    1.9310    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952    0.6996    1.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432    1.2783    2.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    0.1265   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340   -1.0650    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -2.2576    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800   -1.9121   -0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    1.0495   -0.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921   -0.3338   -2.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    1.4275   -2.5308 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