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
   -4.4764    0.6417    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.1146    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    0.1729    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445   -0.6142   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2102   -0.4426   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    0.0753    0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899    0.2121    1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -0.1553    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4653   -0.6811   -1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075   -0.8156   -1.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476   -0.0168    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    0.4638    1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.1645   -1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5005    0.4943    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1585    1.7043    1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3768    0.1603    2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6844   -1.1998    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    0.2708   -0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9005   -0.1502    1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    1.2512    0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -1.6986   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544    0.3837    1.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    0.6275    2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.9842   -1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6957   -1.2273   -2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -0.3504   -0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4652    0.7963    2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    0.5302    1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    0.8306   -1.7674 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