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
   -3.9260    1.1412    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -0.3333   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054   -0.5511    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094    0.2954   -0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560    0.1631   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662    0.9728    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2425    0.7837    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229   -0.1904   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -1.0193   -1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.8057   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377   -0.4359   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0763    0.2954    0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -1.8988    0.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    1.7342   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3671    1.5712    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0300    1.1881    0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -0.6264   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2144   -0.9711    0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460   -0.2047    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5154    0.0196   -1.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    1.3506   -0.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    1.7497    0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    1.4269    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7335   -1.8084   -1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -1.4483   -1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7991   -1.2146   -0.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1680    0.1099    0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.1060    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511   -2.3998    0.2963 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