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
   -3.9938    0.3417    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5198   -0.8628   -0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -1.0498   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368    0.1968   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265    0.1590   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993   -0.3198   -1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.3363   -1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181    0.1344   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0402    0.6078    0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715    0.6247    0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651    0.1156    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    0.5508    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -1.3050    1.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8293    1.2912   -0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083    0.2944    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780    0.3931    1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998   -1.7682   -0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796   -0.6602   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620   -1.9578   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.2902   -1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    1.0522   -0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.6899   -2.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484   -0.7132   -2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    0.9921    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290    1.0214    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795   -0.2784   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3944    0.9545    2.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0142    0.5020    1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7923   -0.5194    1.7010 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