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
    2.3489    0.6810   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006   -0.7221    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756   -1.1781   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -0.2368    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -0.6473   -0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616    0.1084    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1104    1.1418   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915    0.8496   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978    0.8644    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7228    1.3911    0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8012   -1.4363    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948   -0.7704    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -2.1735    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6514   -1.2745   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846    0.8139    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -0.3693    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -0.1857    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599    1.4035   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.7402   -0.1894 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