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
   -4.4225    0.0281    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747    0.6682   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849    0.2076    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925    0.8286   -0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441    0.3254   -0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903   -0.6718   -1.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -1.1928   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031   -0.7400   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    0.2483    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    0.7871    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -1.3483    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   -1.0006    1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734    2.2170   -0.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8413   -0.2076    1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2929    0.6770    0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7296   -0.9505    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194    0.3982   -1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    1.7804   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    0.4073    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -0.8909   -0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    0.4889   -1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -1.0641   -2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166   -1.9695   -1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    0.6203    1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898    1.5692    1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586   -2.1398   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8777   -1.4641    1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6264   -0.2330    1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181    2.6216   -0.2134 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