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
   -4.2204   -0.4310    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613    0.4351   -0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419    0.6924   -0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135   -0.5932   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946   -0.4674    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592   -0.5554   -0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181   -0.4519   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477   -0.2540    0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -0.1610    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5344   -0.2670    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560   -0.1423    0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717   -0.2255   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293   -1.4397    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972   -0.1274   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1025   -1.4924   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677   -0.3008    1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0232    1.3762   -1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5029   -0.1054   -1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5712    1.2892   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    1.2692    0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3325   -1.0670   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -0.7154   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169   -0.5334   -1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -0.0051    2.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1927   -0.1932    2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.0145    1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0267   -0.3777   -1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345   -0.1328    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028   -2.2197    0.6390 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