Monomers

Butyl vinyl ether

Identifiers

IUPAC name
1-ethenoxybutane
InchI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InchI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES
CCCCOC=C
Canonical SMILES
CCCCOC=C
Isomeric SMILES
CCCCOC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.9466
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

 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.5178    0.8802   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -0.4881   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8506   -0.5171    0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364    0.0318   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508   -0.0538    0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190    0.3682    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -0.5058    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    1.3856    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944    1.4843   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.7512   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301   -0.8829    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0383   -1.1515   -1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880    0.0416    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -1.5806    0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    1.1034   -0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.5536   -1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868    1.4182    0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812   -1.5511    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -0.1800   -0.1132 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  1  0
  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
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers