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
    3.5357   -1.6692   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847   -0.9471    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999    0.4991    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4389    1.3572    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0706    0.9781    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203   -0.0492    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164   -0.3816    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515    0.2913   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444    1.3298   -1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5843    1.6419   -0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -0.0260   -1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -0.9913   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745    1.4213    2.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2352   -2.7085   -0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047   -1.7882    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8814   -1.1331   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420   -1.1231    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -1.3578    0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806    0.8785    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    0.6309   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    2.4118    0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857   -0.6222    1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369   -1.1879    0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3314    1.8727   -1.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360    2.4648   -1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3076    0.5814   -1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6151   -1.1640   -0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2497   -1.6097    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059    1.3022    2.5102 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