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
   -2.7467   -0.7925    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    0.5589    1.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5578    0.6473   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.3657   -1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -0.1763   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -1.0774   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -0.8706    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615    0.2107   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134    1.1020   -1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    0.9187   -1.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8790    0.4416   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -0.3748    0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098   -0.1114   -2.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2763   -0.7311    2.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4778   -1.2288    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961   -1.4734    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0908    1.2925    1.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    0.8799    1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6234    0.3943   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629    1.6475   -0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0466   -1.3978   -0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -1.9248    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -1.5999    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067    1.9598   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2215    1.6065   -1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299    1.3151   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -0.1687    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -1.2702    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -0.0693   -2.8825 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