Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.773
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

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.0416    0.0445    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    0.1742    0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -0.2691   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799   -0.1991   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820   -0.3648   -1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7451   -0.3064   -1.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114   -0.0726   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6195    0.0885    0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    0.0315    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564   -0.0168   -0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5093    0.2000    0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.4494   -1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2654   -1.0023    0.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5945    0.2693    1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    0.7607   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2275   -0.5515    1.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    1.2204    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498   -1.3343   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   -0.5509   -2.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258   -0.4438   -2.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871    0.2750    1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335    0.1708    1.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3637   -0.1622   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    0.3449    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5876    0.2332    0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    1.0114   -2.0517 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers