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
    4.2166    0.3235    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201   -0.1909    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -0.5374    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2948    0.6708    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166    0.4397   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.1705   -1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257   -0.3802   -1.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330    0.0404   -0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444    0.6490    0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    0.8514    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2195   -0.1789   -0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2132    0.1775   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    1.1656   -0.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2869    0.0410    0.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854   -0.1567   -0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1461    1.4275    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528   -1.0449    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    0.6112    1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5047   -1.0361    1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -1.2967    0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160    1.4418    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818   -0.5007   -1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -0.8583   -2.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830    1.0003    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    1.3464    1.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560   -0.6712   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0503    0.6633    0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2545   -0.0030   -0.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4302    1.8976   -1.1799 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