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
    3.4030   -0.3074    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -0.8880   -0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806    0.3149   -1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796    1.1380   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    0.6202   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    1.4217    0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    1.0481    0.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.1240    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.9269   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5328   -0.5310   -0.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.5897    0.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6384    0.0783    1.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858    2.4002   -1.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    0.6766    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6158   -0.2365    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235   -1.0738    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.4869   -0.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121   -1.4626   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    0.8952   -1.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269   -0.0776   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502    1.4215    0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    2.3604    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5494    1.6667    1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -1.8762   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077   -1.1722   -1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -1.5444    0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3547    1.0087    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6141   -0.3048    1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025    2.5683   -1.7221 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