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
    3.1021    0.1738    0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -0.5326    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253    0.5275    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -0.0241   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451    1.0543   -0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8772    0.8516   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4617   -0.2328    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    0.5882    1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583    1.0636   -0.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711   -0.4818    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.3173    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878   -0.9998   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9979    1.2992   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    0.9109    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762   -0.3644   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -0.8887    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890    1.5776   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5047   -0.3838   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -0.9626    0.5970 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