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
   -2.6190    1.3704   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215    0.4003    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1052   -0.9107    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6326   -0.6996    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -1.7060   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -1.5160   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550   -0.3144   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451    0.6804    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0223    0.4683    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -0.1710   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395    0.9367    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -1.5306   -0.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5358    2.3940   -0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    1.2870   -1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7306    1.1341   -1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204    0.8409    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081    0.2052    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2579   -1.5594    1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2834   -2.6615   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590   -2.3012   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    1.6365    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    1.2934    0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633   -0.9952   -0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3270    1.0183   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    1.8237    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570   -1.1239   -1.6477 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