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
   -3.9241   -1.0124    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.4493    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    0.6112    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3457   -0.1453   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.0546   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -0.9862    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.9082    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110    0.1162   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    1.0274   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    0.9767   -1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    0.2216   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0892   -0.6229    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    1.9472    0.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9940   -1.1786    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330   -1.5251    1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6736   -1.5199   -0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1102    0.9777    1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    0.8536   -0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460    0.1438    1.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519   -1.2172   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7284    0.1538   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -1.7848    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849   -1.6669    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    1.8350   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634    1.7403   -1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8935    1.0499   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6889   -1.4782    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1818   -0.5331    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    2.5298    0.7441 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