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
    3.1207   -0.8739   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298   -0.4903    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.5796    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450    0.2840    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027    1.2473    0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406    1.1100    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1551   -0.0302   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165   -1.0106   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1008   -0.8461   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5397   -0.2529   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782    0.6252   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783    0.9278    2.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -0.2429   -1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1661   -0.5996   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0469   -1.9484   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -1.4008    1.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9278   -0.0983    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    1.4993    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    2.1774    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    1.9121    0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -1.8954   -0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902   -1.6234   -0.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516   -1.1741   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2357    1.5384    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5144    0.4191   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    0.1667    2.7039 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