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
   -2.7660    1.1654    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7263   -0.0878    0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477   -1.2087    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -0.8063    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0155    0.3161    0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    0.6865    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1557   -0.0764   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987   -1.2324   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895   -1.5976   -0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    0.2714   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    1.3485   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5533   -1.6323   -0.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727    1.3112   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202    1.2109   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434    2.0964    0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880   -0.4161    1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018    0.1576    1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430   -2.0604    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5765    0.9712    1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    1.5983    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.8429   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094   -2.4857   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727   -0.3685   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1644    1.5934   -0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    2.0595    0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3098   -0.9714   -1.5495 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