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
   -3.7391    0.8640   -1.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089    0.3083    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    0.3821    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069   -0.4692   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0635   -0.4707   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    0.4723   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426    0.4627   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195   -0.4739    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -1.4133    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6268   -1.4265    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349   -0.5178    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0495    0.3556   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -0.0677    1.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7507    1.3266   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352    1.6141   -1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076    0.0382   -1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2293    0.9306    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9664   -0.7363    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7478    1.4152    0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096   -0.0729   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8283   -1.4929   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962    1.2023   -1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    1.2435   -1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560   -2.1708    1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203   -2.1832    1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6344   -1.2792    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893    1.1663   -0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    0.2957    0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    0.6968    2.4409 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