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
    2.9783    1.5289   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    0.3777    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643   -0.9228   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -0.9156   -1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546   -0.6133   -0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695    0.5908   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294    0.8784   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171   -0.0403    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716   -1.2640    0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6255   -1.5405    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8400    0.1860    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4891    1.3134    0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284   -2.2195   -1.6284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7466    2.1795    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    2.1634   -0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3732    1.2394   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343    0.2526    1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974    0.5742    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -1.2016   -0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.7077    0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -0.1868   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930    1.3790   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021    1.8448   -0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259   -1.9992    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1955   -2.5246    0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3111   -0.5908    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4845    1.4815    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    2.1564    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115   -2.4192   -2.0375 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