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
   -4.4897    0.8905    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128   -0.3146    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735    0.1455    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -0.9915    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1780   -0.5115    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662   -1.3331    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -0.8885    0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589    0.3547   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    1.1664   -0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    0.7377   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1948    0.8809   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2536    0.1528   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3839   -1.5845    1.5727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4847    0.7952    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373    1.7474    0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5075    1.1699   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448   -1.1155   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7426   -0.7692    1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593    0.5355   -0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9600    0.8857    0.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -1.7819   -0.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0578   -2.3218    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3598   -1.5470    0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589    2.1747   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922    1.4455   -0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3056    1.9034   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823   -0.8355    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2267    0.6029   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.5939    2.0075 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