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
   -4.1879   -0.2123   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3912    0.6838   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    0.5186   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910    0.7945    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844    0.5983    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -0.6093    0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0717   -0.7349    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.3272    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2909    1.5549    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199    1.6522    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    0.2553    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9719   -0.8472    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5135   -0.7784   -1.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614   -1.2136   -0.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7846   -0.3216    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235    0.1927   -0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6265    1.7578   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792    0.4682   -2.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377    1.2289   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181    0.0989    1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184    1.8434    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.4758    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -1.7030    0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9313    2.3875   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    2.6411   -0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8955    1.1401    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366   -1.7413    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -0.8692    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7728   -1.4287   -0.6128 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