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
   -4.0074    0.6749    0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.7236    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8965   -0.6378   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295   -0.4913   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1927   -0.5800   -1.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -0.4566   -1.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338   -0.2282   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -0.1417    0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420   -0.2690    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677   -0.1019   -0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    0.1114    0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816   -1.4672    0.9716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3257   -0.0700    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    0.4905   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413    1.6674    0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    1.3612   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992    1.1326    1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -1.0155   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.7587   -2.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360   -0.5282   -2.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    0.0343    1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -0.1966    1.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984   -0.1822   -1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    0.1972    1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6735    0.2062    0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291   -1.7418    1.5313 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