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
   -4.0390    0.1092    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748    0.1692   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516   -0.6706    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.5054    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027    0.6209    0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    0.7584    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720   -0.2191   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -1.3349   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994   -1.4919   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522   -0.1135   -0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975    0.9193   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141   -0.3082    2.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5862   -0.2213   -0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137    1.0965    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316   -0.6516    0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748    1.2163   -0.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -0.2392   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423   -1.7274    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936    1.4123    1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.6593    0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057   -2.1297   -1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610   -2.3754   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781   -0.9323   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815    1.7806   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5429    0.9625   -0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563    0.6236    2.2066 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