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
   -4.0292    0.6325    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -0.8005   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0906   -0.8577    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372    0.0661   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075    0.0839   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6211   -0.5888    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790   -0.5526    0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565    0.1282    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204    0.7720   -1.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9461    0.7631   -1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794    0.0993    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611    0.7088   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -0.1794   -2.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323    1.1591   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0185    0.5788    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    1.2052    0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484   -1.5001    0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6641   -1.1407   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -1.9056    0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -0.5271    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.1056   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0187   -1.1355    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -1.0898    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    1.3170   -1.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923    1.3016   -2.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6080   -0.4527    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2247    0.6591   -0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9282    1.2666   -1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -1.1168   -2.2825 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