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
    4.5166   -0.4789    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5463    0.2480   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074   -0.1501    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715    0.6262   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    0.2666   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8832    0.7700    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    0.4247    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295   -0.3907   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.8972   -1.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453   -0.5623   -1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3332   -0.7517    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0126   -0.3167    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    1.9714   -0.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -0.4663    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    0.0198    1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610   -1.5461    0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    0.1335   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    1.3427    0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680   -1.2405   -0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8770    0.0623    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388    0.3069   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    1.4356    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850    0.8429    1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335   -1.5454   -1.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596   -0.9820   -2.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375   -1.4110   -0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735    0.3337    1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -0.6138    1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    2.5685   -0.9876 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