Monomers

1-(4-Ethenylphenyl)butan-2-ol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-2-ol
InchI
InChI=1S/C12H16O/c1-3-10-5-7-11(8-6-10)9-12(13)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InchI Key
CHDUJEXBCJDVMA-UHFFFAOYSA-N
SMILES
CCC(Cc1ccc(cc1)C=C)O
Canonical SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
2.643
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.8068    0.5745    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380    0.7095   -0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    1.8880    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    2.0096   -0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5052    0.8086   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149   -0.2603   -1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -1.3681   -1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382   -1.4565    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303   -0.4002    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.7024    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526   -2.6431    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728   -2.8367    1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    1.7994    1.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2370    1.5972    0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4410    0.0368   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7630    0.0200    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698    0.8291   -1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350   -0.2180   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.8025   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    2.1869   -1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675    2.9352   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -0.2282   -2.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3159   -2.2025   -1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566   -0.4283    1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362    1.5340    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018   -3.4478   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606   -2.0854    2.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677   -3.7531    1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071    0.8946    1.7917 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
  3 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers