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
   -4.0143    0.4962    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6414    0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434   -0.3360   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787   -0.2704   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -1.2745   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488   -1.2817   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107   -0.2000   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456    0.8012    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520    0.7990    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8603   -0.1677   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007    0.8190    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -1.6139    0.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578    1.3597   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4883    0.4680    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2659   -0.4685    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2299    1.6688    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    0.4836    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -0.1517   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -2.1352   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   -2.0737   -1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972    1.6721    0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    1.6245    0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -1.0146   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426    1.6552    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5928    0.7955    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -2.2963   -0.6258 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