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
    4.0430    0.0026    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691   -0.2330    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    0.2575   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    0.0347   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997    0.9408    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6461    0.7156    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116   -0.3585   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365   -1.2630   -0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -1.0511   -1.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143   -0.5977    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4045    0.2077    1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    1.5789   -1.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3462   -0.6812   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085   -0.2494    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1679    1.0671   -0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2613    0.3223    1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369   -1.3136    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.3472   -1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    1.7965    0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    1.4317    1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657   -2.1198   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273   -1.7553   -1.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1748   -1.4797   -0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4571   -0.0065    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9810    1.0599    1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1819    2.0407   -1.2535 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