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
   -4.0635    0.2775    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5736    0.5826    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134   -0.6866   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -0.3850   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2949   -0.2684    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658    0.0175    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    0.1829   -0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796    0.0603   -1.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337   -0.2202   -1.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878    0.4798   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5054    0.6107    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1230   -1.7099    0.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4664    0.7395   -0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2621   -0.8040    0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5131    0.8117    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032    1.3395   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635    0.9693    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769   -1.0092   -1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -0.3998    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    0.0971    2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.1893   -2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -0.3115   -2.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494    0.5928   -1.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0492    0.4994    1.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5576    0.8316    0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -2.4869    0.4671 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