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
   -3.4782   -1.2265    1.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939   -0.9346    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4459    0.5566   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    0.9795   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    0.6676   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861   -0.3664   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710   -0.6387   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    0.1030    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560    1.1325    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934    1.3879    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -0.1920    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6678   -1.1544    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331    2.3629   -1.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4466   -1.0605    0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4614   -2.2810    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.5490    2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4230   -1.1987    0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218   -1.5295   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422    0.8021   -0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844    1.1235    0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030    0.4837   -2.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2852   -0.9900   -1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985   -1.4530   -1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    1.7461    1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    2.2019    0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    0.4438    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800   -1.3160    0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.8346   -0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240    2.7338   -0.3711 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