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
    3.5366    0.9521   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582    0.8351    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058   -0.5135    0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -0.6217    1.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604   -0.5055    0.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.5962    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254   -1.5073   -0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349   -0.2549   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731    0.8365    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    0.7285    0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8120   -0.1983   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4309    0.9474   -1.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -1.4957   -0.2803 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.2356   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774    0.6656   -1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397    1.9892   -0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.6544    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9649   -0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -0.6009    1.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926   -1.6185    2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    0.1268    2.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -2.5681    0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174   -2.3923   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    1.8282    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948    1.6516    1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2975   -1.0895   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3898    0.9913   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590    1.9075   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169   -1.3522   -0.9176 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