Monomers

1-(4-Vinylphenyl)-1-butanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-1-ol
InchI
InChI=1S/C12H16O/c1-3-5-12(13)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InchI Key
LAKSAUHDKCJSLP-UHFFFAOYSA-N
SMILES
CCCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCCC(C1=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
3.1631
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
   -2.0499    1.3216    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.2662    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694   -0.6508   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616   -1.4871   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713   -0.8171   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428   -0.7465    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -0.1496    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432    0.4212   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    0.3567   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -0.2471   -1.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    1.0755    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2501    1.1631    1.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -2.2789   -1.7453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673    1.0609    1.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865    1.4017   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824    2.2989    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3432   -0.3343    1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0001    0.7630    0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5764   -1.3254   -0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6530   -0.0368   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329   -2.2488    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739   -1.1939    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -0.1162    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    0.7964   -2.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -0.2622   -2.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    1.4930   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    0.7738    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2269    1.6559    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867   -2.9534   -1.5352 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
  4 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
  3 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