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
   -3.5997   -1.1924    1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5175   -0.6743    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -0.5606    1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188   -0.0589    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -0.8457   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -0.3480   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311    0.9698   -1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    1.7666   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3003    1.2638    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    1.5310   -2.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541    0.8593   -2.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -1.7939    1.8372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210   -2.2740    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4415   -0.6530    2.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6050   -0.9281    1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3971   -1.3191   -0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965    0.3234    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    0.1522    2.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652   -1.8863   -0.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0424   -1.0039   -2.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885    2.8166   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    1.9184    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403    2.5875   -1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -0.1940   -3.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    1.3279   -3.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -1.7843    2.8423 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