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
   -3.2963   -1.2145   -1.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -0.2011   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.2223    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    1.2399    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145    0.7354    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402    0.8965   -0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    0.4162   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344   -0.2344    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497   -0.3853    1.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588    0.0836    1.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9974   -0.7515    0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998   -0.6525   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    0.8122    0.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2031   -2.0973   -0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007   -0.7726   -1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -1.4720   -2.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3491    0.7009   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291   -0.6383   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439   -0.6561    1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113    1.4229    1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    2.2015    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082    1.4054   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    0.5569   -1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2974   -0.8925    2.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -0.0404    2.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3872   -1.2629    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8004   -1.0535   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -0.1672   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947    1.7984    0.5010 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