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
   -2.0352    1.3885    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9222    0.2368    0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7269   -0.9547   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105   -1.5842    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.8842   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463   -0.6634   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280   -0.0079   -1.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426    0.4684   -0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    0.2595    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.3993    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974    1.1652   -1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3232    1.6451   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809   -2.7831   -0.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.1979   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185    2.3455    0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    1.5719    1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -0.0586    1.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0057    0.5901    0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -0.7387   -1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -1.6849    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -2.0371    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -1.0319   -2.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    0.1651   -2.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.6118    1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.5630    1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7421    1.2820   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231    1.5536    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    2.1441   -0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -3.2344   -0.4979 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