Monomers

1-(4-Ethenylphenyl)butan-2-ol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-2-ol
InchI
InChI=1S/C12H16O/c1-3-10-5-7-11(8-6-10)9-12(13)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InchI Key
CHDUJEXBCJDVMA-UHFFFAOYSA-N
SMILES
CCC(Cc1ccc(cc1)C=C)O
Canonical SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
2.643
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

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.9881    1.0940   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5901   -0.3351   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162   -0.5616   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    0.2892    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238    0.1398    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    0.9374   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257    0.7947   -0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341   -0.1589    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -0.9756    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8384   -0.8141    1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3774   -0.3547   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    0.3596   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797   -1.9262   -0.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0433    1.5854    0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9797    1.1568   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322    1.6618   -0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8307   -0.6496    0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2150   -0.9640   -0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429   -0.3523   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805    0.0077    1.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498    1.3369    0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438    1.7062   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    1.4422   -1.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7259   -1.7336    1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -1.4643    1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296   -1.1418    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342    1.1433   -1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2069    0.1669   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838   -2.3901   -1.0043 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
  3 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers