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
   -3.0345    0.4937    1.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6322    0.8437   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019   -0.3360   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -1.2857   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.7616   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4056   -0.2668    0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.2533    1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990    0.3077    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105   -0.1810   -1.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -0.7107   -1.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    0.8644    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.9459   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6181   -1.0627   -0.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.6069    1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    0.9346    2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0404    0.9015    1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4691    1.4285   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.5530   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519   -0.0053   -1.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3192   -2.1006   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.8173    0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2796   -0.2748    1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    0.6403    2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -0.1535   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -1.0843   -2.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    1.2266    1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    0.6131   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8305    1.3774   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -1.7362   -0.2456 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