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
   -3.9678    1.1753   -0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103   -0.2624   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336   -0.5407   -0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785    0.2812    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.0751    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9285    0.9013    1.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    0.7695    1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114   -0.2267    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574   -1.0452   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -0.9090   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616   -0.3465    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9812   -1.2638   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774    1.6366    0.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018    1.6451   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0093    1.2149   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0123    1.7711    0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8868   -0.5925    0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137   -0.9228   -1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7915   -0.3864   -1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -1.6202   -0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -0.0946    1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    1.6909    1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    1.4215    1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -1.8350   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -1.5608   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618    0.3348    0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4932   -2.0013   -1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791   -1.3414   -0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324    2.0318   -0.3553 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