Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.6687    0.5357   -0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -0.6392   -0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5465   -0.4972   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -1.6304    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -1.4894    0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -0.2744    0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    0.8560    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.7563   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6649   -0.1589    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602   -0.2200   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8956   -0.0929   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041    0.9197   -0.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3837    0.9367   -1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017    1.2916    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    0.2755   -0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001   -2.5950    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1455   -2.3785    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080    1.8305    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584    1.6219   -0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    0.7769    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -1.0184    1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122    0.5778   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3329   -1.2047   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3733   -0.8158    0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1219    1.6290   -1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6525    1.0071   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers