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
   -4.0707    0.4038   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096    0.3255   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -0.2012    0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -0.2755    0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337    0.8496    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7965    0.7419    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953   -0.4611   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938   -1.5916   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -1.4765    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053   -0.5932   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5881    0.4378   -0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269    0.6731    1.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2485    0.6826    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5771   -0.5786   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648    1.1377   -0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951   -0.4117   -1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    1.2801   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137   -1.1745    1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    1.8476    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    1.6629    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -2.5388   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -2.4286    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037   -1.5937   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6496    0.2609   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2277    1.4310   -0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    1.5906    1.5486 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