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
   -3.1332    0.7142   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534   -0.6332    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975   -1.3343   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030   -0.6292   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293   -1.0838   -0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9489   -0.4281   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.7019    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406    1.1488    0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762    0.4860    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.4165    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466    1.0378   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092   -2.6889    0.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0466    0.6962   -0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726    0.9828   -0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2771    1.5059    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -1.2701    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764   -0.5611    1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -1.3489   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -1.9595   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -0.8258   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    2.0330    1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0853    0.8979    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3607    2.2975    1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3706    1.6185   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5437    0.1944   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342   -2.9681    0.9170 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