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
   -2.2889    0.7772   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0371   -0.5344    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -0.6687    0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436   -0.5936   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6842   -0.7127   -0.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    0.1632    0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4841    0.7087    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319    1.6156    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3667    0.8009   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071    0.8933   -1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -1.3761   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440   -0.6116    1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4959   -1.7013    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326    0.0223    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1216   -1.4130   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322    0.3704   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374    0.4123    1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    1.3802    1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683    0.4673   -0.3797 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