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
   -4.1140    0.2374    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371   -0.3967    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6889    0.6418   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3109    0.1873   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0635   -1.1155   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -1.4632   -0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -0.5354   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    0.7753   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    1.1225   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161   -0.9689   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8112   -0.1473   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8132    1.5376    0.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9054   -0.4711   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361    0.6545    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1053    1.0795   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260   -0.9158    1.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536   -1.1776   -0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8978    1.2463   -1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -1.8387   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6405   -2.5107   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155    1.5438    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    2.1868    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -2.0175   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7283    0.9178   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407   -0.5126   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178    1.9403    0.9440 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