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
   -4.0830   -0.1910    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    0.5009   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366    0.7925   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3694   -0.5433   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925   -0.4232   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387   -0.2672    1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950   -0.1545    1.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335   -0.2001    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294   -0.3548   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -0.4663   -1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533   -0.0800    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044   -0.1131   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840    1.3031   -1.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059    0.0806    1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1102   -1.2931    0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1021    0.1653    0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5700   -0.2532   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1018    1.3889   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    1.5038    0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5869   -1.1543   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100   -1.0818    0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033   -0.2267    2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044   -0.0303    2.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -0.3965   -1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996   -0.5890   -2.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6092    0.0402    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697   -0.2267   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -0.0176   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    2.2874   -1.5449 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