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
   -3.8248   -1.2302    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469   -0.7153   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4335    0.7458   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933    1.2720   -0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    0.7248   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270    0.9980   -1.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    0.5503   -1.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.1778   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7095   -0.4315    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960    0.0143    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.6197    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4571   -1.3044    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173    2.6561   -0.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775   -1.5131   -0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5456   -2.1207    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1511   -0.4484    1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9124   -0.8611   -1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -1.3283   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894    1.0381    1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681    1.2569   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820    0.9757   -1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8175    1.5535   -2.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051    0.7515   -1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9047   -0.9827    1.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -0.1980    1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7851   -0.3813   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -1.6058    1.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980   -1.6364    1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    3.0178   -0.1873 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