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
   -3.0692    1.0176    1.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932    0.7189    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -0.7736    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188   -1.2157   -1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.8156   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -1.6598   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578   -1.2656    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5937   -0.0184   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019    0.7853   -0.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.4345   -1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9566    0.4232   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984    1.5842   -0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794   -1.1306    0.0447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    0.7865    2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9497    0.3360    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3691    2.0925    1.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604    1.0229    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206    1.2926   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8665   -1.2401    1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5043   -2.2966   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782   -0.6920   -1.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381   -2.6508    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570   -1.8993    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    1.7762   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027    1.1144   -1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   -0.2490    0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    1.8818   -0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8413    2.3484   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8945   -1.7079    0.7800 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