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
   -2.4104    3.1670   -1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    1.8247   -1.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857    0.8840   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    0.7375    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -0.1467    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801    0.3400    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573   -0.4723    0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699   -1.8208    0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964   -2.3298    0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826   -1.4922    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844   -2.7062    1.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3155   -2.2937    1.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006   -0.3065   -2.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    3.9216   -1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934    3.4995   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5497    3.1657    0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6680    1.4654   -1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9604    1.9642   -2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    1.3296   -1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475    0.4412    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940    1.7789    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    1.3945    0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -0.0148    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -3.3882    1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -1.9138    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -3.7676    1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -2.9790    1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -1.2688    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095   -1.0136   -1.9116 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