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
   -2.0685    1.0358   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9948   -0.4364    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746   -1.1039   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3986   -0.4262   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -0.9326   -0.7805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591   -0.3689   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    0.8292    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664    1.6472    0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5519    1.2751   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    1.3869   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8311   -0.5779    1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764   -0.9530    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898   -2.1838   -0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900   -1.0209   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    0.6664   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106   -0.5871    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418   -0.9496   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0710    1.4801    0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    1.2197    0.2614 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