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
   -4.0893   -0.4188   -0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5785    0.3699    0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.6551    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451   -0.6490    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -0.4577   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075   -0.3522   -1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765   -0.1711   -1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.0923   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.1974    0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9454   -0.3792    0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    0.0994   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.1844    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6415    1.4217    1.3286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7827   -1.4632   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5832   -0.0140   -1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1905   -0.2847   -0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1653    1.3104    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7582   -0.1481    1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571    1.2286   -0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -1.2363    1.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -1.2728   -0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043   -0.4044   -2.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.0909   -2.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -0.1421    1.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.4562    2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156    0.1752   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1931    0.3260    0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.1239    1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715    2.3357    1.0346 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