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
   -4.4499   -0.0234   -0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5326    0.6798    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.1670   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    0.7914    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2365    0.2665    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754    0.8225    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6264    0.3235    0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8183   -0.7346   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -1.2715   -0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -0.7918   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080   -1.2879   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2127   -0.8089   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957    2.1673    0.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4780    0.3515   -0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0401    0.0709   -1.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814   -1.1173   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910    1.7724    0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8023    0.3737    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    0.4207   -1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -0.9368    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015    0.4905    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631    1.6611    1.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    0.7985    1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -2.1182   -1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487   -1.2934   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344   -2.1181   -1.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253    0.0144    0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1590   -1.2369   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756    2.5670   -0.0312 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