Monomers

1-(4-Vinylphenyl)-1-butanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-1-ol
InchI
InChI=1S/C12H16O/c1-3-5-12(13)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InchI Key
LAKSAUHDKCJSLP-UHFFFAOYSA-N
SMILES
CCCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCCC(C1=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
3.1631
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
   -4.3520    0.7571    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -0.2740   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129    0.0146    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.9392   -0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829   -0.5522   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -0.8445    0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774   -0.4868    1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    0.1987    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594    0.5020   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    0.1263   -1.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064    0.5823    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611    1.2287   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589   -2.2691   -0.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3913    0.4680    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7871    1.7270    0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3440    0.9613    0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8038   -0.0546   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8520   -1.3004    0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.0648    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726    1.0327   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258   -0.8489   -1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772   -1.3818    1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -0.7160    2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    1.0404   -1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577    0.4020   -2.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6122    0.3167    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709    1.5410   -1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0007    1.4984   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876   -2.6648    0.0572 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
  4 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
  3 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