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
   -3.8417    0.9549   -0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008    0.1289    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073    0.2450    0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713   -0.3010   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.2528   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051    0.5217    0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    0.5270    0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815   -0.2353   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -1.0220   -0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   -1.0270   -1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -0.2658    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    0.4505    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7980   -1.6380   -0.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347    0.3757   -1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    1.8066   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8593    1.4084   -0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -0.9336    0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1574    0.4824    1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -0.3601    1.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028    1.3316    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    0.2375   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    1.1307    1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.1636    1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -1.6208   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -1.6502   -1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691   -0.8938   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4939    1.0950    1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    0.4068    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -2.0658    0.3036 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