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
   -2.2303    0.9827   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256   -0.4414   -0.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0408   -0.8678   -0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -0.8568   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -0.3071   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762   -0.2962    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480    0.2572    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    1.0677    0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    1.6639   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2330    1.3316    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -0.4854   -1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694   -1.0469    0.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -1.3306    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.1442   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.7620    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    0.2402    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5817    0.7067   -0.7370 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